USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 638 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 ASN : amide:sc= -2.54! C(o=-2.5!,f=-7.3!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 108:sc= 1.2 USER MOD Single : A 15 LYS NZ :NH3+ -133:sc= 1.17 (180deg=-0.34) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 173:sc= 1.22 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 153:sc= 1.26 (180deg=1.09) USER MOD Single : A 32 MET CE :methyl -160:sc= -0.117 (180deg=-1.28) USER MOD Single : A 34 MET CE :methyl -137:sc= -0.595 (180deg=-2.85!) USER MOD Single : A 40 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -150:sc= 0 USER MOD Single : A 64 SER OG : rot 50:sc= -0.32 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 68:sc= 1.3 USER MOD Single : A 71 LYS NZ :NH3+ 176:sc= 1.29 (180deg=1.25) USER MOD ----------------------------------------------------------------- ATOM 56 N GLY A 4 7.323 3.382 9.563 1.00 52.53 N ATOM 57 CA GLY A 4 6.347 2.504 8.959 1.00 44.22 C ATOM 58 C GLY A 4 6.957 1.215 8.457 1.00 45.53 C ATOM 59 O GLY A 4 8.168 0.998 8.568 1.00 51.10 O ATOM 0 HA2 GLY A 4 5.570 2.274 9.688 1.00 44.22 H new ATOM 0 HA3 GLY A 4 5.863 3.020 8.130 1.00 44.22 H new ATOM 63 N ILE A 5 6.113 0.353 7.924 1.00 34.34 N ATOM 64 CA ILE A 5 6.560 -0.893 7.327 1.00 14.31 C ATOM 65 C ILE A 5 6.247 -0.864 5.841 1.00 1.31 C ATOM 66 O ILE A 5 5.584 0.054 5.369 1.00 71.15 O ATOM 67 CB ILE A 5 5.884 -2.127 7.968 1.00 41.12 C ATOM 68 CG1 ILE A 5 4.371 -2.101 7.731 1.00 24.42 C ATOM 69 CG2 ILE A 5 6.189 -2.184 9.458 1.00 52.30 C ATOM 70 CD1 ILE A 5 3.649 -3.325 8.255 1.00 3.43 C ATOM 0 H ILE A 5 5.103 0.494 7.892 1.00 34.34 H new ATOM 0 HA ILE A 5 7.633 -0.982 7.499 1.00 14.31 H new ATOM 0 HB ILE A 5 6.287 -3.023 7.496 1.00 41.12 H new ATOM 0 HG12 ILE A 5 3.953 -1.213 8.206 1.00 24.42 H new ATOM 0 HG13 ILE A 5 4.182 -2.009 6.662 1.00 24.42 H new ATOM 0 HG21 ILE A 5 5.706 -3.058 9.895 1.00 52.30 H new ATOM 0 HG22 ILE A 5 7.267 -2.252 9.606 1.00 52.30 H new ATOM 0 HG23 ILE A 5 5.813 -1.282 9.941 1.00 52.30 H new ATOM 0 HD11 ILE A 5 2.582 -3.234 8.050 1.00 3.43 H new ATOM 0 HD12 ILE A 5 4.038 -4.216 7.762 1.00 3.43 H new ATOM 0 HD13 ILE A 5 3.806 -3.408 9.330 1.00 3.43 H new ATOM 82 N GLY A 6 6.707 -1.854 5.106 1.00 43.43 N ATOM 83 CA GLY A 6 6.441 -1.880 3.688 1.00 61.43 C ATOM 84 C GLY A 6 5.019 -2.312 3.392 1.00 15.14 C ATOM 85 O GLY A 6 4.474 -3.169 4.084 1.00 31.53 O ATOM 0 H GLY A 6 7.257 -2.637 5.460 1.00 43.43 H new ATOM 0 HA2 GLY A 6 6.616 -0.890 3.267 1.00 61.43 H new ATOM 0 HA3 GLY A 6 7.137 -2.562 3.200 1.00 61.43 H new ATOM 89 N LEU A 7 4.414 -1.716 2.373 1.00 31.43 N ATOM 90 CA LEU A 7 3.050 -2.060 1.981 1.00 31.24 C ATOM 91 C LEU A 7 2.977 -3.513 1.511 1.00 60.14 C ATOM 92 O LEU A 7 1.930 -4.153 1.581 1.00 31.54 O ATOM 93 CB LEU A 7 2.569 -1.110 0.880 1.00 0.41 C ATOM 94 CG LEU A 7 1.107 -1.263 0.471 1.00 53.52 C ATOM 95 CD1 LEU A 7 0.199 -1.038 1.668 1.00 73.34 C ATOM 96 CD2 LEU A 7 0.774 -0.287 -0.644 1.00 5.14 C ATOM 0 H LEU A 7 4.846 -0.990 1.801 1.00 31.43 H new ATOM 0 HA LEU A 7 2.396 -1.952 2.847 1.00 31.24 H new ATOM 0 HB2 LEU A 7 2.729 -0.085 1.214 1.00 0.41 H new ATOM 0 HB3 LEU A 7 3.192 -1.259 -0.002 1.00 0.41 H new ATOM 0 HG LEU A 7 0.946 -2.277 0.105 1.00 53.52 H new ATOM 0 HD11 LEU A 7 -0.841 -1.150 1.362 1.00 73.34 H new ATOM 0 HD12 LEU A 7 0.430 -1.769 2.443 1.00 73.34 H new ATOM 0 HD13 LEU A 7 0.356 -0.033 2.060 1.00 73.34 H new ATOM 0 HD21 LEU A 7 -0.272 -0.404 -0.929 1.00 5.14 H new ATOM 0 HD22 LEU A 7 0.944 0.733 -0.298 1.00 5.14 H new ATOM 0 HD23 LEU A 7 1.410 -0.489 -1.506 1.00 5.14 H new ATOM 108 N ASN A 8 4.109 -4.030 1.052 1.00 51.52 N ATOM 109 CA ASN A 8 4.210 -5.422 0.624 1.00 20.34 C ATOM 110 C ASN A 8 4.280 -6.353 1.834 1.00 42.34 C ATOM 111 O ASN A 8 4.095 -7.563 1.708 1.00 41.21 O ATOM 112 CB ASN A 8 5.439 -5.623 -0.274 1.00 33.51 C ATOM 113 CG ASN A 8 6.756 -5.317 0.425 1.00 45.22 C ATOM 114 OD1 ASN A 8 6.817 -4.504 1.350 1.00 41.21 O ATOM 115 ND2 ASN A 8 7.830 -5.939 -0.037 1.00 74.51 N ATOM 0 H ASN A 8 4.978 -3.502 0.966 1.00 51.52 H new ATOM 0 HA ASN A 8 3.317 -5.667 0.049 1.00 20.34 H new ATOM 0 HB2 ASN A 8 5.456 -6.653 -0.629 1.00 33.51 H new ATOM 0 HB3 ASN A 8 5.346 -4.985 -1.153 1.00 33.51 H new ATOM 0 HD21 ASN A 8 8.744 -5.751 0.374 1.00 74.51 H new ATOM 0 HD22 ASN A 8 7.743 -6.606 -0.804 1.00 74.51 H new ATOM 122 N GLU A 9 4.537 -5.776 3.003 1.00 2.33 N ATOM 123 CA GLU A 9 4.620 -6.534 4.239 1.00 74.33 C ATOM 124 C GLU A 9 3.248 -6.595 4.908 1.00 53.02 C ATOM 125 O GLU A 9 3.061 -7.262 5.929 1.00 35.51 O ATOM 126 CB GLU A 9 5.644 -5.881 5.175 1.00 24.53 C ATOM 127 CG GLU A 9 6.982 -5.611 4.508 1.00 45.53 C ATOM 128 CD GLU A 9 8.052 -5.144 5.477 1.00 23.31 C ATOM 129 OE1 GLU A 9 7.864 -4.100 6.137 1.00 61.22 O ATOM 130 OE2 GLU A 9 9.097 -5.818 5.574 1.00 5.03 O ATOM 0 H GLU A 9 4.692 -4.774 3.117 1.00 2.33 H new ATOM 0 HA GLU A 9 4.942 -7.552 4.018 1.00 74.33 H new ATOM 0 HB2 GLU A 9 5.237 -4.942 5.549 1.00 24.53 H new ATOM 0 HB3 GLU A 9 5.800 -6.527 6.039 1.00 24.53 H new ATOM 0 HG2 GLU A 9 7.323 -6.520 4.012 1.00 45.53 H new ATOM 0 HG3 GLU A 9 6.848 -4.856 3.734 1.00 45.53 H new ATOM 137 N VAL A 10 2.292 -5.891 4.316 1.00 62.15 N ATOM 138 CA VAL A 10 0.924 -5.854 4.817 1.00 43.02 C ATOM 139 C VAL A 10 0.065 -6.843 4.024 1.00 24.15 C ATOM 140 O VAL A 10 0.459 -7.276 2.938 1.00 54.21 O ATOM 141 CB VAL A 10 0.331 -4.426 4.703 1.00 13.22 C ATOM 142 CG1 VAL A 10 -0.964 -4.299 5.490 1.00 31.34 C ATOM 143 CG2 VAL A 10 1.340 -3.389 5.171 1.00 52.41 C ATOM 0 H VAL A 10 2.442 -5.331 3.477 1.00 62.15 H new ATOM 0 HA VAL A 10 0.929 -6.135 5.870 1.00 43.02 H new ATOM 0 HB VAL A 10 0.104 -4.244 3.653 1.00 13.22 H new ATOM 0 HG11 VAL A 10 -1.353 -3.286 5.389 1.00 31.34 H new ATOM 0 HG12 VAL A 10 -1.695 -5.009 5.104 1.00 31.34 H new ATOM 0 HG13 VAL A 10 -0.773 -4.511 6.542 1.00 31.34 H new ATOM 0 HG21 VAL A 10 0.906 -2.393 5.083 1.00 52.41 H new ATOM 0 HG22 VAL A 10 1.602 -3.580 6.212 1.00 52.41 H new ATOM 0 HG23 VAL A 10 2.236 -3.449 4.554 1.00 52.41 H new ATOM 153 N GLU A 11 -1.095 -7.212 4.556 1.00 42.43 N ATOM 154 CA GLU A 11 -1.946 -8.186 3.893 1.00 11.00 C ATOM 155 C GLU A 11 -3.354 -7.617 3.670 1.00 42.22 C ATOM 156 O GLU A 11 -3.600 -6.433 3.912 1.00 72.44 O ATOM 157 CB GLU A 11 -1.987 -9.488 4.704 1.00 22.31 C ATOM 158 CG GLU A 11 -2.435 -10.698 3.897 1.00 2.54 C ATOM 159 CD GLU A 11 -2.246 -12.001 4.638 1.00 4.42 C ATOM 160 OE1 GLU A 11 -3.091 -12.335 5.487 1.00 35.04 O ATOM 161 OE2 GLU A 11 -1.252 -12.705 4.361 1.00 70.44 O ATOM 0 H GLU A 11 -1.463 -6.853 5.437 1.00 42.43 H new ATOM 0 HA GLU A 11 -1.527 -8.411 2.912 1.00 11.00 H new ATOM 0 HB2 GLU A 11 -0.995 -9.682 5.113 1.00 22.31 H new ATOM 0 HB3 GLU A 11 -2.661 -9.357 5.551 1.00 22.31 H new ATOM 0 HG2 GLU A 11 -3.487 -10.584 3.635 1.00 2.54 H new ATOM 0 HG3 GLU A 11 -1.875 -10.733 2.962 1.00 2.54 H new ATOM 168 N ILE A 12 -4.264 -8.473 3.222 1.00 73.02 N ATOM 169 CA ILE A 12 -5.590 -8.067 2.757 1.00 42.20 C ATOM 170 C ILE A 12 -6.447 -7.431 3.847 1.00 60.35 C ATOM 171 O ILE A 12 -6.263 -7.693 5.037 1.00 3.41 O ATOM 172 CB ILE A 12 -6.352 -9.273 2.177 1.00 34.31 C ATOM 173 CG1 ILE A 12 -6.496 -10.375 3.236 1.00 24.40 C ATOM 174 CG2 ILE A 12 -5.632 -9.800 0.948 1.00 65.30 C ATOM 175 CD1 ILE A 12 -7.265 -11.588 2.761 1.00 20.23 C ATOM 0 H ILE A 12 -4.103 -9.479 3.170 1.00 73.02 H new ATOM 0 HA ILE A 12 -5.414 -7.313 1.989 1.00 42.20 H new ATOM 0 HB ILE A 12 -7.351 -8.951 1.883 1.00 34.31 H new ATOM 0 HG12 ILE A 12 -5.503 -10.690 3.556 1.00 24.40 H new ATOM 0 HG13 ILE A 12 -6.996 -9.960 4.111 1.00 24.40 H new ATOM 0 HG21 ILE A 12 -6.178 -10.653 0.544 1.00 65.30 H new ATOM 0 HG22 ILE A 12 -5.577 -9.015 0.194 1.00 65.30 H new ATOM 0 HG23 ILE A 12 -4.624 -10.111 1.222 1.00 65.30 H new ATOM 0 HD11 ILE A 12 -7.323 -12.320 3.566 1.00 20.23 H new ATOM 0 HD12 ILE A 12 -8.272 -11.289 2.469 1.00 20.23 H new ATOM 0 HD13 ILE A 12 -6.755 -12.030 1.905 1.00 20.23 H new ATOM 187 N LYS A 13 -7.386 -6.586 3.406 1.00 50.43 N ATOM 188 CA LYS A 13 -8.391 -5.975 4.276 1.00 62.15 C ATOM 189 C LYS A 13 -7.760 -5.075 5.331 1.00 0.33 C ATOM 190 O LYS A 13 -8.332 -4.852 6.399 1.00 32.13 O ATOM 191 CB LYS A 13 -9.263 -7.054 4.929 1.00 12.41 C ATOM 192 CG LYS A 13 -10.057 -7.865 3.920 1.00 42.54 C ATOM 193 CD LYS A 13 -10.925 -8.913 4.593 1.00 14.42 C ATOM 194 CE LYS A 13 -11.724 -9.700 3.567 1.00 24.23 C ATOM 195 NZ LYS A 13 -12.582 -10.737 4.195 1.00 41.13 N ATOM 0 H LYS A 13 -7.468 -6.307 2.428 1.00 50.43 H new ATOM 0 HA LYS A 13 -9.024 -5.344 3.653 1.00 62.15 H new ATOM 0 HB2 LYS A 13 -8.629 -7.725 5.508 1.00 12.41 H new ATOM 0 HB3 LYS A 13 -9.951 -6.582 5.630 1.00 12.41 H new ATOM 0 HG2 LYS A 13 -10.685 -7.197 3.331 1.00 42.54 H new ATOM 0 HG3 LYS A 13 -9.372 -8.352 3.226 1.00 42.54 H new ATOM 0 HD2 LYS A 13 -10.299 -9.593 5.170 1.00 14.42 H new ATOM 0 HD3 LYS A 13 -11.604 -8.431 5.296 1.00 14.42 H new ATOM 0 HE2 LYS A 13 -12.347 -9.015 2.992 1.00 24.23 H new ATOM 0 HE3 LYS A 13 -11.040 -10.175 2.864 1.00 24.23 H new ATOM 0 HZ1 LYS A 13 -13.107 -11.247 3.456 1.00 41.13 H new ATOM 0 HZ2 LYS A 13 -11.987 -11.407 4.722 1.00 41.13 H new ATOM 0 HZ3 LYS A 13 -13.254 -10.284 4.847 1.00 41.13 H new ATOM 209 N SER A 14 -6.596 -4.533 5.017 1.00 42.21 N ATOM 210 CA SER A 14 -5.922 -3.623 5.920 1.00 64.33 C ATOM 211 C SER A 14 -6.104 -2.183 5.461 1.00 65.10 C ATOM 212 O SER A 14 -6.299 -1.917 4.273 1.00 35.13 O ATOM 213 CB SER A 14 -4.436 -3.962 6.005 1.00 53.21 C ATOM 214 OG SER A 14 -4.243 -5.324 6.344 1.00 51.31 O ATOM 0 H SER A 14 -6.100 -4.709 4.143 1.00 42.21 H new ATOM 0 HA SER A 14 -6.365 -3.732 6.910 1.00 64.33 H new ATOM 0 HB2 SER A 14 -3.956 -3.750 5.050 1.00 53.21 H new ATOM 0 HB3 SER A 14 -3.957 -3.327 6.750 1.00 53.21 H new ATOM 0 HG SER A 14 -3.914 -5.813 5.561 1.00 51.31 H new ATOM 220 N LYS A 15 -6.055 -1.265 6.411 1.00 60.31 N ATOM 221 CA LYS A 15 -6.159 0.153 6.116 1.00 71.43 C ATOM 222 C LYS A 15 -4.944 0.872 6.679 1.00 14.31 C ATOM 223 O LYS A 15 -4.765 0.962 7.897 1.00 2.54 O ATOM 224 CB LYS A 15 -7.457 0.732 6.685 1.00 4.54 C ATOM 225 CG LYS A 15 -7.639 2.224 6.436 1.00 41.12 C ATOM 226 CD LYS A 15 -9.057 2.666 6.764 1.00 53.41 C ATOM 227 CE LYS A 15 -9.247 4.166 6.593 1.00 21.20 C ATOM 228 NZ LYS A 15 -8.573 4.949 7.662 1.00 13.33 N ATOM 0 H LYS A 15 -5.943 -1.480 7.402 1.00 60.31 H new ATOM 0 HA LYS A 15 -6.185 0.296 5.036 1.00 71.43 H new ATOM 0 HB2 LYS A 15 -8.301 0.197 6.250 1.00 4.54 H new ATOM 0 HB3 LYS A 15 -7.483 0.549 7.759 1.00 4.54 H new ATOM 0 HG2 LYS A 15 -6.930 2.786 7.044 1.00 41.12 H new ATOM 0 HG3 LYS A 15 -7.416 2.452 5.394 1.00 41.12 H new ATOM 0 HD2 LYS A 15 -9.759 2.137 6.119 1.00 53.41 H new ATOM 0 HD3 LYS A 15 -9.294 2.386 7.790 1.00 53.41 H new ATOM 0 HE2 LYS A 15 -8.856 4.470 5.622 1.00 21.20 H new ATOM 0 HE3 LYS A 15 -10.312 4.397 6.594 1.00 21.20 H new ATOM 0 HZ1 LYS A 15 -9.227 5.669 8.030 1.00 13.33 H new ATOM 0 HZ2 LYS A 15 -8.291 4.312 8.434 1.00 13.33 H new ATOM 0 HZ3 LYS A 15 -7.729 5.415 7.272 1.00 13.33 H new ATOM 242 N VAL A 16 -4.102 1.350 5.785 1.00 62.24 N ATOM 243 CA VAL A 16 -2.837 1.963 6.163 1.00 61.33 C ATOM 244 C VAL A 16 -2.687 3.327 5.514 1.00 15.11 C ATOM 245 O VAL A 16 -3.518 3.728 4.701 1.00 2.30 O ATOM 246 CB VAL A 16 -1.643 1.073 5.754 1.00 53.50 C ATOM 247 CG1 VAL A 16 -1.656 -0.236 6.527 1.00 70.01 C ATOM 248 CG2 VAL A 16 -1.665 0.804 4.257 1.00 5.34 C ATOM 0 H VAL A 16 -4.271 1.327 4.779 1.00 62.24 H new ATOM 0 HA VAL A 16 -2.840 2.076 7.247 1.00 61.33 H new ATOM 0 HB VAL A 16 -0.724 1.606 5.997 1.00 53.50 H new ATOM 0 HG11 VAL A 16 -0.806 -0.847 6.223 1.00 70.01 H new ATOM 0 HG12 VAL A 16 -1.590 -0.029 7.595 1.00 70.01 H new ATOM 0 HG13 VAL A 16 -2.582 -0.773 6.318 1.00 70.01 H new ATOM 0 HG21 VAL A 16 -0.816 0.175 3.988 1.00 5.34 H new ATOM 0 HG22 VAL A 16 -2.592 0.295 3.992 1.00 5.34 H new ATOM 0 HG23 VAL A 16 -1.603 1.749 3.717 1.00 5.34 H new ATOM 258 N LYS A 17 -1.631 4.032 5.878 1.00 74.41 N ATOM 259 CA LYS A 17 -1.348 5.334 5.299 1.00 50.53 C ATOM 260 C LYS A 17 0.079 5.398 4.807 1.00 44.53 C ATOM 261 O LYS A 17 0.993 4.890 5.456 1.00 22.22 O ATOM 262 CB LYS A 17 -1.584 6.439 6.318 1.00 20.33 C ATOM 263 CG LYS A 17 -1.160 7.822 5.838 1.00 21.01 C ATOM 264 CD LYS A 17 -1.508 8.901 6.848 1.00 0.34 C ATOM 265 CE LYS A 17 -3.012 9.043 7.008 1.00 65.23 C ATOM 266 NZ LYS A 17 -3.370 9.989 8.095 1.00 75.23 N ATOM 0 H LYS A 17 -0.953 3.724 6.575 1.00 74.41 H new ATOM 0 HA LYS A 17 -2.023 5.479 4.456 1.00 50.53 H new ATOM 0 HB2 LYS A 17 -2.643 6.463 6.575 1.00 20.33 H new ATOM 0 HB3 LYS A 17 -1.040 6.200 7.232 1.00 20.33 H new ATOM 0 HG2 LYS A 17 -0.086 7.829 5.654 1.00 21.01 H new ATOM 0 HG3 LYS A 17 -1.647 8.042 4.888 1.00 21.01 H new ATOM 0 HD2 LYS A 17 -1.059 8.659 7.811 1.00 0.34 H new ATOM 0 HD3 LYS A 17 -1.083 9.852 6.528 1.00 0.34 H new ATOM 0 HE2 LYS A 17 -3.445 9.389 6.069 1.00 65.23 H new ATOM 0 HE3 LYS A 17 -3.448 8.066 7.219 1.00 65.23 H new ATOM 0 HZ1 LYS A 17 -4.405 10.056 8.170 1.00 75.23 H new ATOM 0 HZ2 LYS A 17 -2.979 9.647 8.996 1.00 75.23 H new ATOM 0 HZ3 LYS A 17 -2.977 10.928 7.882 1.00 75.23 H new ATOM 280 N VAL A 18 0.255 6.042 3.672 1.00 44.12 N ATOM 281 CA VAL A 18 1.562 6.174 3.056 1.00 64.24 C ATOM 282 C VAL A 18 2.419 7.170 3.825 1.00 4.22 C ATOM 283 O VAL A 18 2.289 8.382 3.649 1.00 23.11 O ATOM 284 CB VAL A 18 1.454 6.626 1.584 1.00 34.11 C ATOM 285 CG1 VAL A 18 2.831 6.696 0.936 1.00 11.22 C ATOM 286 CG2 VAL A 18 0.540 5.696 0.802 1.00 10.12 C ATOM 0 H VAL A 18 -0.500 6.488 3.151 1.00 44.12 H new ATOM 0 HA VAL A 18 2.031 5.190 3.084 1.00 64.24 H new ATOM 0 HB VAL A 18 1.020 7.626 1.568 1.00 34.11 H new ATOM 0 HG11 VAL A 18 2.729 7.017 -0.101 1.00 11.22 H new ATOM 0 HG12 VAL A 18 3.452 7.410 1.477 1.00 11.22 H new ATOM 0 HG13 VAL A 18 3.298 5.712 0.967 1.00 11.22 H new ATOM 0 HG21 VAL A 18 0.478 6.033 -0.233 1.00 10.12 H new ATOM 0 HG22 VAL A 18 0.941 4.683 0.831 1.00 10.12 H new ATOM 0 HG23 VAL A 18 -0.455 5.705 1.247 1.00 10.12 H new ATOM 296 N ILE A 19 3.252 6.648 4.712 1.00 40.44 N ATOM 297 CA ILE A 19 4.223 7.460 5.435 1.00 53.45 C ATOM 298 C ILE A 19 5.217 8.070 4.459 1.00 54.31 C ATOM 299 O ILE A 19 5.541 9.257 4.535 1.00 5.35 O ATOM 300 CB ILE A 19 4.996 6.624 6.479 1.00 25.23 C ATOM 301 CG1 ILE A 19 4.031 5.995 7.484 1.00 1.23 C ATOM 302 CG2 ILE A 19 6.030 7.480 7.203 1.00 51.04 C ATOM 303 CD1 ILE A 19 3.226 7.009 8.267 1.00 65.32 C ATOM 0 H ILE A 19 3.276 5.657 4.951 1.00 40.44 H new ATOM 0 HA ILE A 19 3.674 8.245 5.955 1.00 53.45 H new ATOM 0 HB ILE A 19 5.520 5.826 5.952 1.00 25.23 H new ATOM 0 HG12 ILE A 19 3.347 5.333 6.953 1.00 1.23 H new ATOM 0 HG13 ILE A 19 4.597 5.377 8.181 1.00 1.23 H new ATOM 0 HG21 ILE A 19 6.561 6.869 7.933 1.00 51.04 H new ATOM 0 HG22 ILE A 19 6.740 7.882 6.480 1.00 51.04 H new ATOM 0 HG23 ILE A 19 5.528 8.302 7.714 1.00 51.04 H new ATOM 0 HD11 ILE A 19 2.563 6.491 8.960 1.00 65.32 H new ATOM 0 HD12 ILE A 19 3.902 7.656 8.826 1.00 65.32 H new ATOM 0 HD13 ILE A 19 2.632 7.611 7.579 1.00 65.32 H new ATOM 315 N GLY A 20 5.693 7.254 3.536 1.00 33.03 N ATOM 316 CA GLY A 20 6.626 7.737 2.554 1.00 74.33 C ATOM 317 C GLY A 20 6.908 6.726 1.475 1.00 45.04 C ATOM 318 O GLY A 20 6.489 5.573 1.556 1.00 60.21 O ATOM 0 H GLY A 20 5.448 6.267 3.452 1.00 33.03 H new ATOM 0 HA2 GLY A 20 6.232 8.646 2.100 1.00 74.33 H new ATOM 0 HA3 GLY A 20 7.560 8.006 3.047 1.00 74.33 H new ATOM 322 N ILE A 21 7.626 7.176 0.468 1.00 73.20 N ATOM 323 CA ILE A 21 8.002 6.356 -0.665 1.00 0.20 C ATOM 324 C ILE A 21 9.514 6.467 -0.849 1.00 71.35 C ATOM 325 O ILE A 21 10.121 7.417 -0.345 1.00 33.40 O ATOM 326 CB ILE A 21 7.258 6.815 -1.942 1.00 25.11 C ATOM 327 CG1 ILE A 21 5.750 6.894 -1.679 1.00 55.35 C ATOM 328 CG2 ILE A 21 7.539 5.874 -3.109 1.00 61.31 C ATOM 329 CD1 ILE A 21 4.953 7.443 -2.844 1.00 55.34 C ATOM 0 H ILE A 21 7.970 8.135 0.412 1.00 73.20 H new ATOM 0 HA ILE A 21 7.725 5.318 -0.484 1.00 0.20 H new ATOM 0 HB ILE A 21 7.625 7.806 -2.208 1.00 25.11 H new ATOM 0 HG12 ILE A 21 5.381 5.898 -1.436 1.00 55.35 H new ATOM 0 HG13 ILE A 21 5.576 7.521 -0.804 1.00 55.35 H new ATOM 0 HG21 ILE A 21 7.004 6.221 -3.993 1.00 61.31 H new ATOM 0 HG22 ILE A 21 8.609 5.860 -3.315 1.00 61.31 H new ATOM 0 HG23 ILE A 21 7.205 4.868 -2.854 1.00 61.31 H new ATOM 0 HD11 ILE A 21 3.895 7.468 -2.582 1.00 55.34 H new ATOM 0 HD12 ILE A 21 5.294 8.452 -3.074 1.00 55.34 H new ATOM 0 HD13 ILE A 21 5.096 6.804 -3.716 1.00 55.34 H new ATOM 341 N VAL A 22 10.123 5.504 -1.525 1.00 31.52 N ATOM 342 CA VAL A 22 11.576 5.469 -1.679 1.00 64.24 C ATOM 343 C VAL A 22 12.001 5.980 -3.061 1.00 63.31 C ATOM 344 O VAL A 22 12.048 5.225 -4.029 1.00 65.42 O ATOM 345 CB VAL A 22 12.146 4.050 -1.461 1.00 1.32 C ATOM 346 CG1 VAL A 22 13.666 4.070 -1.494 1.00 4.04 C ATOM 347 CG2 VAL A 22 11.645 3.461 -0.151 1.00 21.21 C ATOM 0 H VAL A 22 9.634 4.732 -1.978 1.00 31.52 H new ATOM 0 HA VAL A 22 11.984 6.127 -0.912 1.00 64.24 H new ATOM 0 HB VAL A 22 11.795 3.415 -2.275 1.00 1.32 H new ATOM 0 HG11 VAL A 22 14.047 3.061 -1.338 1.00 4.04 H new ATOM 0 HG12 VAL A 22 14.004 4.440 -2.462 1.00 4.04 H new ATOM 0 HG13 VAL A 22 14.038 4.724 -0.705 1.00 4.04 H new ATOM 0 HG21 VAL A 22 12.060 2.462 -0.019 1.00 21.21 H new ATOM 0 HG22 VAL A 22 11.959 4.096 0.677 1.00 21.21 H new ATOM 0 HG23 VAL A 22 10.557 3.403 -0.171 1.00 21.21 H new ATOM 357 N PRO A 23 12.271 7.294 -3.178 1.00 22.14 N ATOM 358 CA PRO A 23 12.630 7.917 -4.453 1.00 15.23 C ATOM 359 C PRO A 23 13.895 7.315 -5.057 1.00 61.11 C ATOM 360 O PRO A 23 14.593 6.529 -4.409 1.00 54.20 O ATOM 361 CB PRO A 23 12.855 9.390 -4.095 1.00 64.42 C ATOM 362 CG PRO A 23 13.095 9.403 -2.627 1.00 54.32 C ATOM 363 CD PRO A 23 12.300 8.260 -2.069 1.00 15.25 C ATOM 0 HA PRO A 23 11.855 7.767 -5.205 1.00 15.23 H new ATOM 0 HB2 PRO A 23 13.707 9.801 -4.637 1.00 64.42 H new ATOM 0 HB3 PRO A 23 11.988 9.996 -4.357 1.00 64.42 H new ATOM 0 HG2 PRO A 23 14.156 9.287 -2.404 1.00 54.32 H new ATOM 0 HG3 PRO A 23 12.779 10.349 -2.188 1.00 54.32 H new ATOM 0 HD2 PRO A 23 12.771 7.839 -1.181 1.00 15.25 H new ATOM 0 HD3 PRO A 23 11.296 8.571 -1.780 1.00 15.25 H new ATOM 371 N GLU A 24 14.186 7.707 -6.296 1.00 63.22 N ATOM 372 CA GLU A 24 15.312 7.163 -7.059 1.00 50.22 C ATOM 373 C GLU A 24 15.074 5.696 -7.444 1.00 53.53 C ATOM 374 O GLU A 24 15.861 5.101 -8.186 1.00 13.31 O ATOM 375 CB GLU A 24 16.608 7.317 -6.256 1.00 74.33 C ATOM 376 CG GLU A 24 17.872 7.304 -7.089 1.00 24.44 C ATOM 377 CD GLU A 24 19.090 7.643 -6.262 1.00 1.12 C ATOM 378 OE1 GLU A 24 19.442 6.850 -5.363 1.00 15.44 O ATOM 379 OE2 GLU A 24 19.695 8.709 -6.499 1.00 14.44 O ATOM 0 H GLU A 24 13.648 8.411 -6.801 1.00 63.22 H new ATOM 0 HA GLU A 24 15.403 7.728 -7.987 1.00 50.22 H new ATOM 0 HB2 GLU A 24 16.566 8.253 -5.699 1.00 74.33 H new ATOM 0 HB3 GLU A 24 16.663 6.512 -5.523 1.00 74.33 H new ATOM 0 HG2 GLU A 24 18.001 6.320 -7.540 1.00 24.44 H new ATOM 0 HG3 GLU A 24 17.777 8.019 -7.906 1.00 24.44 H new ATOM 386 N SER A 25 13.982 5.123 -6.956 1.00 35.12 N ATOM 387 CA SER A 25 13.560 3.801 -7.353 1.00 54.04 C ATOM 388 C SER A 25 12.870 3.861 -8.712 1.00 2.01 C ATOM 389 O SER A 25 12.357 4.909 -9.113 1.00 43.13 O ATOM 390 CB SER A 25 12.598 3.246 -6.308 1.00 40.34 C ATOM 391 OG SER A 25 13.273 2.484 -5.324 1.00 43.01 O ATOM 0 H SER A 25 13.368 5.568 -6.274 1.00 35.12 H new ATOM 0 HA SER A 25 14.431 3.150 -7.429 1.00 54.04 H new ATOM 0 HB2 SER A 25 12.067 4.069 -5.829 1.00 40.34 H new ATOM 0 HB3 SER A 25 11.848 2.625 -6.798 1.00 40.34 H new ATOM 0 HG SER A 25 12.644 2.234 -4.615 1.00 43.01 H new ATOM 397 N LYS A 26 12.852 2.743 -9.419 1.00 3.00 N ATOM 398 CA LYS A 26 12.214 2.688 -10.726 1.00 30.44 C ATOM 399 C LYS A 26 10.693 2.658 -10.581 1.00 23.02 C ATOM 400 O LYS A 26 9.967 3.182 -11.426 1.00 10.42 O ATOM 401 CB LYS A 26 12.698 1.469 -11.516 1.00 53.33 C ATOM 402 CG LYS A 26 12.366 0.138 -10.860 1.00 0.01 C ATOM 403 CD LYS A 26 12.760 -1.031 -11.742 1.00 75.22 C ATOM 404 CE LYS A 26 12.321 -2.355 -11.138 1.00 72.44 C ATOM 405 NZ LYS A 26 12.564 -3.491 -12.062 1.00 63.52 N ATOM 0 H LYS A 26 13.270 1.864 -9.113 1.00 3.00 H new ATOM 0 HA LYS A 26 12.492 3.587 -11.277 1.00 30.44 H new ATOM 0 HB2 LYS A 26 12.254 1.493 -12.511 1.00 53.33 H new ATOM 0 HB3 LYS A 26 13.778 1.539 -11.647 1.00 53.33 H new ATOM 0 HG2 LYS A 26 12.883 0.064 -9.903 1.00 0.01 H new ATOM 0 HG3 LYS A 26 11.298 0.092 -10.649 1.00 0.01 H new ATOM 0 HD2 LYS A 26 12.310 -0.912 -12.728 1.00 75.22 H new ATOM 0 HD3 LYS A 26 13.841 -1.034 -11.883 1.00 75.22 H new ATOM 0 HE2 LYS A 26 12.858 -2.524 -10.205 1.00 72.44 H new ATOM 0 HE3 LYS A 26 11.260 -2.308 -10.891 1.00 72.44 H new ATOM 0 HZ1 LYS A 26 12.251 -4.376 -11.614 1.00 63.52 H new ATOM 0 HZ2 LYS A 26 12.031 -3.342 -12.943 1.00 63.52 H new ATOM 0 HZ3 LYS A 26 13.580 -3.552 -12.278 1.00 63.52 H new ATOM 419 N VAL A 27 10.217 2.059 -9.494 1.00 3.03 N ATOM 420 CA VAL A 27 8.784 1.965 -9.238 1.00 33.30 C ATOM 421 C VAL A 27 8.257 3.261 -8.628 1.00 61.45 C ATOM 422 O VAL A 27 7.066 3.555 -8.718 1.00 70.34 O ATOM 423 CB VAL A 27 8.447 0.776 -8.317 1.00 42.04 C ATOM 424 CG1 VAL A 27 8.781 -0.541 -9.002 1.00 24.23 C ATOM 425 CG2 VAL A 27 9.185 0.890 -6.992 1.00 41.13 C ATOM 0 H VAL A 27 10.802 1.632 -8.776 1.00 3.03 H new ATOM 0 HA VAL A 27 8.295 1.799 -10.198 1.00 33.30 H new ATOM 0 HB VAL A 27 7.377 0.798 -8.112 1.00 42.04 H new ATOM 0 HG11 VAL A 27 8.537 -1.369 -8.337 1.00 24.23 H new ATOM 0 HG12 VAL A 27 8.202 -0.630 -9.921 1.00 24.23 H new ATOM 0 HG13 VAL A 27 9.844 -0.568 -9.239 1.00 24.23 H new ATOM 0 HG21 VAL A 27 8.931 0.039 -6.360 1.00 41.13 H new ATOM 0 HG22 VAL A 27 10.260 0.899 -7.174 1.00 41.13 H new ATOM 0 HG23 VAL A 27 8.894 1.814 -6.492 1.00 41.13 H new ATOM 435 N ARG A 28 9.163 4.035 -8.031 1.00 11.53 N ATOM 436 CA ARG A 28 8.839 5.352 -7.482 1.00 42.00 C ATOM 437 C ARG A 28 8.155 6.217 -8.538 1.00 44.14 C ATOM 438 O ARG A 28 7.159 6.885 -8.262 1.00 51.32 O ATOM 439 CB ARG A 28 10.128 6.019 -6.986 1.00 54.33 C ATOM 440 CG ARG A 28 10.049 7.527 -6.790 1.00 42.42 C ATOM 441 CD ARG A 28 9.263 7.924 -5.553 1.00 11.12 C ATOM 442 NE ARG A 28 9.495 9.331 -5.212 1.00 14.31 N ATOM 443 CZ ARG A 28 8.853 9.991 -4.250 1.00 22.21 C ATOM 444 NH1 ARG A 28 7.889 9.401 -3.561 1.00 31.34 N ATOM 445 NH2 ARG A 28 9.176 11.250 -3.987 1.00 51.44 N ATOM 0 H ARG A 28 10.140 3.768 -7.914 1.00 11.53 H new ATOM 0 HA ARG A 28 8.149 5.238 -6.646 1.00 42.00 H new ATOM 0 HB2 ARG A 28 10.413 5.561 -6.039 1.00 54.33 H new ATOM 0 HB3 ARG A 28 10.926 5.803 -7.697 1.00 54.33 H new ATOM 0 HG2 ARG A 28 11.058 7.932 -6.718 1.00 42.42 H new ATOM 0 HG3 ARG A 28 9.587 7.978 -7.668 1.00 42.42 H new ATOM 0 HD2 ARG A 28 8.199 7.758 -5.725 1.00 11.12 H new ATOM 0 HD3 ARG A 28 9.553 7.290 -4.715 1.00 11.12 H new ATOM 0 HE ARG A 28 10.197 9.840 -5.749 1.00 14.31 H new ATOM 0 HH11 ARG A 28 7.634 8.435 -3.766 1.00 31.34 H new ATOM 0 HH12 ARG A 28 7.401 9.912 -2.825 1.00 31.34 H new ATOM 0 HH21 ARG A 28 9.914 11.709 -4.521 1.00 51.44 H new ATOM 0 HH22 ARG A 28 8.687 11.759 -3.251 1.00 51.44 H new ATOM 459 N ARG A 29 8.697 6.178 -9.751 1.00 64.33 N ATOM 460 CA ARG A 29 8.132 6.913 -10.876 1.00 43.20 C ATOM 461 C ARG A 29 6.696 6.471 -11.145 1.00 14.14 C ATOM 462 O ARG A 29 5.807 7.301 -11.344 1.00 4.02 O ATOM 463 CB ARG A 29 9.001 6.687 -12.119 1.00 43.12 C ATOM 464 CG ARG A 29 8.410 7.232 -13.412 1.00 2.53 C ATOM 465 CD ARG A 29 8.216 8.738 -13.364 1.00 40.43 C ATOM 466 NE ARG A 29 7.615 9.243 -14.599 1.00 33.23 N ATOM 467 CZ ARG A 29 6.888 10.356 -14.679 1.00 63.45 C ATOM 468 NH1 ARG A 29 6.689 11.107 -13.600 1.00 22.32 N ATOM 469 NH2 ARG A 29 6.364 10.725 -15.842 1.00 14.24 N ATOM 0 H ARG A 29 9.533 5.641 -9.980 1.00 64.33 H new ATOM 0 HA ARG A 29 8.117 7.975 -10.633 1.00 43.20 H new ATOM 0 HB2 ARG A 29 9.974 7.151 -11.956 1.00 43.12 H new ATOM 0 HB3 ARG A 29 9.174 5.617 -12.236 1.00 43.12 H new ATOM 0 HG2 ARG A 29 9.066 6.978 -14.245 1.00 2.53 H new ATOM 0 HG3 ARG A 29 7.451 6.750 -13.603 1.00 2.53 H new ATOM 0 HD2 ARG A 29 7.581 8.997 -12.517 1.00 40.43 H new ATOM 0 HD3 ARG A 29 9.178 9.224 -13.201 1.00 40.43 H new ATOM 0 HE ARG A 29 7.763 8.708 -15.455 1.00 33.23 H new ATOM 0 HH11 ARG A 29 7.094 10.832 -12.705 1.00 22.32 H new ATOM 0 HH12 ARG A 29 6.131 11.958 -13.667 1.00 22.32 H new ATOM 0 HH21 ARG A 29 6.518 10.156 -16.674 1.00 14.24 H new ATOM 0 HH22 ARG A 29 5.807 11.577 -15.903 1.00 14.24 H new ATOM 483 N LYS A 30 6.482 5.163 -11.129 1.00 32.01 N ATOM 484 CA LYS A 30 5.167 4.592 -11.380 1.00 62.23 C ATOM 485 C LYS A 30 4.176 5.013 -10.302 1.00 51.04 C ATOM 486 O LYS A 30 3.073 5.461 -10.603 1.00 44.03 O ATOM 487 CB LYS A 30 5.254 3.066 -11.422 1.00 15.44 C ATOM 488 CG LYS A 30 3.937 2.390 -11.767 1.00 4.14 C ATOM 489 CD LYS A 30 4.077 0.880 -11.805 1.00 51.20 C ATOM 490 CE LYS A 30 2.734 0.210 -12.036 1.00 42.01 C ATOM 491 NZ LYS A 30 2.855 -1.267 -12.099 1.00 31.41 N ATOM 0 H LYS A 30 7.209 4.472 -10.943 1.00 32.01 H new ATOM 0 HA LYS A 30 4.817 4.964 -12.343 1.00 62.23 H new ATOM 0 HB2 LYS A 30 6.006 2.773 -12.155 1.00 15.44 H new ATOM 0 HB3 LYS A 30 5.596 2.703 -10.453 1.00 15.44 H new ATOM 0 HG2 LYS A 30 3.182 2.667 -11.032 1.00 4.14 H new ATOM 0 HG3 LYS A 30 3.586 2.748 -12.735 1.00 4.14 H new ATOM 0 HD2 LYS A 30 4.769 0.596 -12.598 1.00 51.20 H new ATOM 0 HD3 LYS A 30 4.505 0.528 -10.867 1.00 51.20 H new ATOM 0 HE2 LYS A 30 2.049 0.484 -11.234 1.00 42.01 H new ATOM 0 HE3 LYS A 30 2.300 0.578 -12.965 1.00 42.01 H new ATOM 0 HZ1 LYS A 30 1.958 -1.702 -11.802 1.00 31.41 H new ATOM 0 HZ2 LYS A 30 3.074 -1.556 -13.074 1.00 31.41 H new ATOM 0 HZ3 LYS A 30 3.618 -1.580 -11.465 1.00 31.41 H new ATOM 505 N ILE A 31 4.585 4.861 -9.051 1.00 11.43 N ATOM 506 CA ILE A 31 3.737 5.184 -7.907 1.00 14.34 C ATOM 507 C ILE A 31 3.273 6.642 -7.950 1.00 42.55 C ATOM 508 O ILE A 31 2.090 6.933 -7.754 1.00 35.41 O ATOM 509 CB ILE A 31 4.479 4.917 -6.580 1.00 12.11 C ATOM 510 CG1 ILE A 31 4.902 3.448 -6.501 1.00 71.01 C ATOM 511 CG2 ILE A 31 3.605 5.286 -5.389 1.00 53.41 C ATOM 512 CD1 ILE A 31 5.810 3.136 -5.331 1.00 51.33 C ATOM 0 H ILE A 31 5.509 4.512 -8.798 1.00 11.43 H new ATOM 0 HA ILE A 31 2.860 4.539 -7.963 1.00 14.34 H new ATOM 0 HB ILE A 31 5.372 5.541 -6.550 1.00 12.11 H new ATOM 0 HG12 ILE A 31 4.010 2.826 -6.432 1.00 71.01 H new ATOM 0 HG13 ILE A 31 5.410 3.176 -7.426 1.00 71.01 H new ATOM 0 HG21 ILE A 31 4.148 5.090 -4.465 1.00 53.41 H new ATOM 0 HG22 ILE A 31 3.347 6.344 -5.441 1.00 53.41 H new ATOM 0 HG23 ILE A 31 2.693 4.689 -5.408 1.00 53.41 H new ATOM 0 HD11 ILE A 31 6.067 2.077 -5.342 1.00 51.33 H new ATOM 0 HD12 ILE A 31 6.720 3.731 -5.408 1.00 51.33 H new ATOM 0 HD13 ILE A 31 5.298 3.375 -4.399 1.00 51.33 H new ATOM 524 N MET A 32 4.201 7.551 -8.228 1.00 20.33 N ATOM 525 CA MET A 32 3.877 8.972 -8.287 1.00 42.12 C ATOM 526 C MET A 32 2.986 9.270 -9.490 1.00 13.52 C ATOM 527 O MET A 32 2.100 10.125 -9.423 1.00 23.13 O ATOM 528 CB MET A 32 5.148 9.819 -8.358 1.00 24.43 C ATOM 529 CG MET A 32 6.078 9.636 -7.171 1.00 21.01 C ATOM 530 SD MET A 32 5.308 10.066 -5.595 1.00 71.31 S ATOM 531 CE MET A 32 4.939 11.800 -5.851 1.00 22.20 C ATOM 0 H MET A 32 5.179 7.331 -8.415 1.00 20.33 H new ATOM 0 HA MET A 32 3.338 9.230 -7.376 1.00 42.12 H new ATOM 0 HB2 MET A 32 5.688 9.570 -9.272 1.00 24.43 H new ATOM 0 HB3 MET A 32 4.869 10.870 -8.429 1.00 24.43 H new ATOM 0 HG2 MET A 32 6.411 8.599 -7.135 1.00 21.01 H new ATOM 0 HG3 MET A 32 6.966 10.251 -7.315 1.00 21.01 H new ATOM 0 HE1 MET A 32 4.799 12.288 -4.887 1.00 22.20 H new ATOM 0 HE2 MET A 32 5.766 12.274 -6.381 1.00 22.20 H new ATOM 0 HE3 MET A 32 4.028 11.895 -6.442 1.00 22.20 H new ATOM 541 N ASP A 33 3.227 8.554 -10.586 1.00 13.24 N ATOM 542 CA ASP A 33 2.423 8.689 -11.800 1.00 74.42 C ATOM 543 C ASP A 33 1.002 8.203 -11.548 1.00 1.31 C ATOM 544 O ASP A 33 0.036 8.812 -12.008 1.00 51.42 O ATOM 545 CB ASP A 33 3.064 7.904 -12.954 1.00 52.22 C ATOM 546 CG ASP A 33 2.237 7.933 -14.225 1.00 53.43 C ATOM 547 OD1 ASP A 33 2.245 8.969 -14.925 1.00 22.50 O ATOM 548 OD2 ASP A 33 1.593 6.911 -14.543 1.00 54.21 O ATOM 0 H ASP A 33 3.979 7.869 -10.659 1.00 13.24 H new ATOM 0 HA ASP A 33 2.384 9.742 -12.079 1.00 74.42 H new ATOM 0 HB2 ASP A 33 4.052 8.316 -13.161 1.00 52.22 H new ATOM 0 HB3 ASP A 33 3.208 6.869 -12.645 1.00 52.22 H new ATOM 553 N MET A 34 0.888 7.111 -10.799 1.00 1.33 N ATOM 554 CA MET A 34 -0.412 6.571 -10.409 1.00 50.33 C ATOM 555 C MET A 34 -1.196 7.590 -9.590 1.00 73.50 C ATOM 556 O MET A 34 -2.420 7.672 -9.689 1.00 41.24 O ATOM 557 CB MET A 34 -0.239 5.283 -9.601 1.00 31.31 C ATOM 558 CG MET A 34 0.286 4.108 -10.410 1.00 32.14 C ATOM 559 SD MET A 34 -0.866 3.561 -11.683 1.00 74.22 S ATOM 560 CE MET A 34 -2.281 3.112 -10.687 1.00 72.22 C ATOM 0 H MET A 34 1.684 6.579 -10.448 1.00 1.33 H new ATOM 0 HA MET A 34 -0.969 6.347 -11.319 1.00 50.33 H new ATOM 0 HB2 MET A 34 0.444 5.475 -8.774 1.00 31.31 H new ATOM 0 HB3 MET A 34 -1.199 5.009 -9.164 1.00 31.31 H new ATOM 0 HG2 MET A 34 1.230 4.388 -10.878 1.00 32.14 H new ATOM 0 HG3 MET A 34 0.498 3.277 -9.738 1.00 32.14 H new ATOM 0 HE1 MET A 34 -2.697 2.171 -11.048 1.00 72.22 H new ATOM 0 HE2 MET A 34 -1.973 2.997 -9.648 1.00 72.22 H new ATOM 0 HE3 MET A 34 -3.038 3.893 -10.757 1.00 72.22 H new ATOM 570 N GLY A 35 -0.485 8.367 -8.788 1.00 73.45 N ATOM 571 CA GLY A 35 -1.126 9.401 -8.004 1.00 42.23 C ATOM 572 C GLY A 35 -1.042 9.148 -6.516 1.00 12.44 C ATOM 573 O GLY A 35 -1.744 9.788 -5.732 1.00 41.45 O ATOM 0 H GLY A 35 0.525 8.300 -8.666 1.00 73.45 H new ATOM 0 HA2 GLY A 35 -0.663 10.361 -8.231 1.00 42.23 H new ATOM 0 HA3 GLY A 35 -2.173 9.475 -8.296 1.00 42.23 H new ATOM 577 N ILE A 36 -0.185 8.218 -6.117 1.00 41.43 N ATOM 578 CA ILE A 36 -0.022 7.906 -4.706 1.00 74.11 C ATOM 579 C ILE A 36 1.053 8.786 -4.100 1.00 35.11 C ATOM 580 O ILE A 36 2.171 8.859 -4.610 1.00 12.32 O ATOM 581 CB ILE A 36 0.353 6.430 -4.477 1.00 74.32 C ATOM 582 CG1 ILE A 36 -0.606 5.520 -5.243 1.00 20.31 C ATOM 583 CG2 ILE A 36 0.335 6.100 -2.989 1.00 45.23 C ATOM 584 CD1 ILE A 36 -0.205 4.061 -5.225 1.00 20.40 C ATOM 0 H ILE A 36 0.403 7.671 -6.746 1.00 41.43 H new ATOM 0 HA ILE A 36 -0.982 8.092 -4.224 1.00 74.11 H new ATOM 0 HB ILE A 36 1.363 6.263 -4.850 1.00 74.32 H new ATOM 0 HG12 ILE A 36 -1.604 5.619 -4.817 1.00 20.31 H new ATOM 0 HG13 ILE A 36 -0.666 5.858 -6.277 1.00 20.31 H new ATOM 0 HG21 ILE A 36 0.602 5.053 -2.845 1.00 45.23 H new ATOM 0 HG22 ILE A 36 1.053 6.733 -2.467 1.00 45.23 H new ATOM 0 HG23 ILE A 36 -0.663 6.278 -2.589 1.00 45.23 H new ATOM 0 HD11 ILE A 36 -0.932 3.477 -5.789 1.00 20.40 H new ATOM 0 HD12 ILE A 36 0.780 3.949 -5.678 1.00 20.40 H new ATOM 0 HD13 ILE A 36 -0.173 3.705 -4.195 1.00 20.40 H new ATOM 596 N VAL A 37 0.704 9.452 -3.016 1.00 1.22 N ATOM 597 CA VAL A 37 1.623 10.359 -2.340 1.00 2.33 C ATOM 598 C VAL A 37 1.575 10.148 -0.832 1.00 15.32 C ATOM 599 O VAL A 37 0.732 9.402 -0.325 1.00 13.05 O ATOM 600 CB VAL A 37 1.308 11.842 -2.652 1.00 54.42 C ATOM 601 CG1 VAL A 37 1.500 12.135 -4.129 1.00 5.31 C ATOM 602 CG2 VAL A 37 -0.106 12.203 -2.217 1.00 60.52 C ATOM 0 H VAL A 37 -0.215 9.384 -2.579 1.00 1.22 H new ATOM 0 HA VAL A 37 2.621 10.131 -2.714 1.00 2.33 H new ATOM 0 HB VAL A 37 2.006 12.458 -2.085 1.00 54.42 H new ATOM 0 HG11 VAL A 37 1.273 13.183 -4.325 1.00 5.31 H new ATOM 0 HG12 VAL A 37 2.533 11.929 -4.410 1.00 5.31 H new ATOM 0 HG13 VAL A 37 0.832 11.504 -4.715 1.00 5.31 H new ATOM 0 HG21 VAL A 37 -0.301 13.250 -2.448 1.00 60.52 H new ATOM 0 HG22 VAL A 37 -0.821 11.575 -2.748 1.00 60.52 H new ATOM 0 HG23 VAL A 37 -0.209 12.043 -1.144 1.00 60.52 H new ATOM 612 N ARG A 38 2.470 10.817 -0.119 1.00 54.52 N ATOM 613 CA ARG A 38 2.515 10.735 1.335 1.00 60.33 C ATOM 614 C ARG A 38 1.213 11.250 1.943 1.00 41.13 C ATOM 615 O ARG A 38 0.682 12.280 1.522 1.00 74.52 O ATOM 616 CB ARG A 38 3.726 11.521 1.867 1.00 31.34 C ATOM 617 CG ARG A 38 3.790 11.644 3.386 1.00 4.42 C ATOM 618 CD ARG A 38 3.095 12.908 3.874 1.00 74.23 C ATOM 619 NE ARG A 38 3.079 13.011 5.330 1.00 21.21 N ATOM 620 CZ ARG A 38 3.790 13.901 6.015 1.00 71.42 C ATOM 621 NH1 ARG A 38 4.666 14.681 5.389 1.00 34.33 N ATOM 622 NH2 ARG A 38 3.645 13.988 7.332 1.00 71.13 N ATOM 0 H ARG A 38 3.179 11.426 -0.527 1.00 54.52 H new ATOM 0 HA ARG A 38 2.627 9.691 1.628 1.00 60.33 H new ATOM 0 HB2 ARG A 38 4.638 11.037 1.517 1.00 31.34 H new ATOM 0 HB3 ARG A 38 3.710 12.522 1.436 1.00 31.34 H new ATOM 0 HG2 ARG A 38 3.323 10.771 3.843 1.00 4.42 H new ATOM 0 HG3 ARG A 38 4.831 11.653 3.708 1.00 4.42 H new ATOM 0 HD2 ARG A 38 3.599 13.780 3.457 1.00 74.23 H new ATOM 0 HD3 ARG A 38 2.071 12.923 3.501 1.00 74.23 H new ATOM 0 HE ARG A 38 2.489 12.363 5.851 1.00 21.21 H new ATOM 0 HH11 ARG A 38 4.794 14.597 4.381 1.00 34.33 H new ATOM 0 HH12 ARG A 38 5.210 15.363 5.917 1.00 34.33 H new ATOM 0 HH21 ARG A 38 2.990 13.373 7.815 1.00 71.13 H new ATOM 0 HH22 ARG A 38 4.189 14.670 7.861 1.00 71.13 H new ATOM 636 N GLY A 39 0.697 10.513 2.916 1.00 53.42 N ATOM 637 CA GLY A 39 -0.516 10.914 3.598 1.00 4.13 C ATOM 638 C GLY A 39 -1.753 10.250 3.028 1.00 71.12 C ATOM 639 O GLY A 39 -2.825 10.313 3.626 1.00 43.42 O ATOM 0 H GLY A 39 1.101 9.637 3.247 1.00 53.42 H new ATOM 0 HA2 GLY A 39 -0.431 10.668 4.656 1.00 4.13 H new ATOM 0 HA3 GLY A 39 -0.625 11.996 3.530 1.00 4.13 H new ATOM 643 N THR A 40 -1.613 9.616 1.870 1.00 43.44 N ATOM 644 CA THR A 40 -2.731 8.914 1.259 1.00 65.25 C ATOM 645 C THR A 40 -3.017 7.630 2.026 1.00 24.53 C ATOM 646 O THR A 40 -2.094 6.961 2.494 1.00 62.22 O ATOM 647 CB THR A 40 -2.450 8.562 -0.210 1.00 42.50 C ATOM 648 OG1 THR A 40 -1.845 9.681 -0.868 1.00 71.12 O ATOM 649 CG2 THR A 40 -3.733 8.181 -0.941 1.00 70.24 C ATOM 0 H THR A 40 -0.743 9.574 1.340 1.00 43.44 H new ATOM 0 HA THR A 40 -3.593 9.580 1.296 1.00 65.25 H new ATOM 0 HB THR A 40 -1.774 7.707 -0.229 1.00 42.50 H new ATOM 0 HG1 THR A 40 -0.889 9.709 -0.654 1.00 71.12 H new ATOM 0 HG21 THR A 40 -3.502 7.937 -1.978 1.00 70.24 H new ATOM 0 HG22 THR A 40 -4.184 7.315 -0.457 1.00 70.24 H new ATOM 0 HG23 THR A 40 -4.431 9.018 -0.912 1.00 70.24 H new ATOM 657 N GLU A 41 -4.285 7.301 2.162 1.00 61.23 N ATOM 658 CA GLU A 41 -4.685 6.086 2.830 1.00 33.22 C ATOM 659 C GLU A 41 -4.884 4.982 1.811 1.00 42.04 C ATOM 660 O GLU A 41 -5.465 5.197 0.746 1.00 4.34 O ATOM 661 CB GLU A 41 -5.962 6.308 3.637 1.00 4.12 C ATOM 662 CG GLU A 41 -5.801 7.302 4.779 1.00 14.23 C ATOM 663 CD GLU A 41 -6.943 7.237 5.775 1.00 30.32 C ATOM 664 OE1 GLU A 41 -8.086 7.570 5.407 1.00 25.12 O ATOM 665 OE2 GLU A 41 -6.703 6.838 6.934 1.00 4.34 O ATOM 0 H GLU A 41 -5.060 7.866 1.814 1.00 61.23 H new ATOM 0 HA GLU A 41 -3.897 5.791 3.523 1.00 33.22 H new ATOM 0 HB2 GLU A 41 -6.747 6.661 2.968 1.00 4.12 H new ATOM 0 HB3 GLU A 41 -6.295 5.353 4.043 1.00 4.12 H new ATOM 0 HG2 GLU A 41 -4.862 7.107 5.296 1.00 14.23 H new ATOM 0 HG3 GLU A 41 -5.737 8.311 4.371 1.00 14.23 H new ATOM 672 N ILE A 42 -4.382 3.812 2.135 1.00 71.15 N ATOM 673 CA ILE A 42 -4.427 2.686 1.229 1.00 41.21 C ATOM 674 C ILE A 42 -5.266 1.563 1.818 1.00 63.23 C ATOM 675 O ILE A 42 -4.953 1.032 2.887 1.00 34.05 O ATOM 676 CB ILE A 42 -3.005 2.169 0.918 1.00 53.31 C ATOM 677 CG1 ILE A 42 -2.183 3.249 0.206 1.00 43.12 C ATOM 678 CG2 ILE A 42 -3.054 0.898 0.078 1.00 10.55 C ATOM 679 CD1 ILE A 42 -2.762 3.690 -1.124 1.00 75.10 C ATOM 0 H ILE A 42 -3.933 3.614 3.029 1.00 71.15 H new ATOM 0 HA ILE A 42 -4.885 3.023 0.299 1.00 41.21 H new ATOM 0 HB ILE A 42 -2.521 1.930 1.865 1.00 53.31 H new ATOM 0 HG12 ILE A 42 -2.100 4.117 0.860 1.00 43.12 H new ATOM 0 HG13 ILE A 42 -1.173 2.874 0.044 1.00 43.12 H new ATOM 0 HG21 ILE A 42 -2.039 0.557 -0.126 1.00 10.55 H new ATOM 0 HG22 ILE A 42 -3.595 0.123 0.621 1.00 10.55 H new ATOM 0 HG23 ILE A 42 -3.563 1.104 -0.864 1.00 10.55 H new ATOM 0 HD11 ILE A 42 -2.122 4.455 -1.563 1.00 75.10 H new ATOM 0 HD12 ILE A 42 -2.820 2.835 -1.797 1.00 75.10 H new ATOM 0 HD13 ILE A 42 -3.761 4.097 -0.969 1.00 75.10 H new ATOM 691 N TYR A 43 -6.345 1.231 1.134 1.00 52.54 N ATOM 692 CA TYR A 43 -7.166 0.098 1.516 1.00 24.12 C ATOM 693 C TYR A 43 -6.749 -1.121 0.714 1.00 24.21 C ATOM 694 O TYR A 43 -6.799 -1.107 -0.518 1.00 33.22 O ATOM 695 CB TYR A 43 -8.653 0.405 1.294 1.00 74.54 C ATOM 696 CG TYR A 43 -9.559 -0.796 1.470 1.00 63.54 C ATOM 697 CD1 TYR A 43 -9.787 -1.348 2.724 1.00 62.24 C ATOM 698 CD2 TYR A 43 -10.190 -1.375 0.374 1.00 71.22 C ATOM 699 CE1 TYR A 43 -10.610 -2.449 2.881 1.00 73.13 C ATOM 700 CE2 TYR A 43 -11.015 -2.474 0.522 1.00 22.43 C ATOM 701 CZ TYR A 43 -11.226 -3.007 1.776 1.00 41.44 C ATOM 702 OH TYR A 43 -12.051 -4.104 1.924 1.00 21.24 O ATOM 0 H TYR A 43 -6.674 1.732 0.308 1.00 52.54 H new ATOM 0 HA TYR A 43 -7.021 -0.104 2.577 1.00 24.12 H new ATOM 0 HB2 TYR A 43 -8.961 1.185 1.990 1.00 74.54 H new ATOM 0 HB3 TYR A 43 -8.786 0.804 0.288 1.00 74.54 H new ATOM 0 HD1 TYR A 43 -9.314 -0.911 3.591 1.00 62.24 H new ATOM 0 HD2 TYR A 43 -10.033 -0.959 -0.610 1.00 71.22 H new ATOM 0 HE1 TYR A 43 -10.771 -2.871 3.862 1.00 73.13 H new ATOM 0 HE2 TYR A 43 -11.493 -2.914 -0.341 1.00 22.43 H new ATOM 0 HH TYR A 43 -12.403 -4.369 1.049 1.00 21.24 H new ATOM 712 N ILE A 44 -6.311 -2.159 1.409 1.00 45.14 N ATOM 713 CA ILE A 44 -5.922 -3.392 0.749 1.00 2.45 C ATOM 714 C ILE A 44 -7.166 -4.162 0.331 1.00 42.30 C ATOM 715 O ILE A 44 -7.823 -4.800 1.158 1.00 31.54 O ATOM 716 CB ILE A 44 -5.046 -4.285 1.652 1.00 24.21 C ATOM 717 CG1 ILE A 44 -3.918 -3.470 2.293 1.00 51.13 C ATOM 718 CG2 ILE A 44 -4.470 -5.440 0.842 1.00 1.00 C ATOM 719 CD1 ILE A 44 -2.970 -2.836 1.295 1.00 2.41 C ATOM 0 H ILE A 44 -6.217 -2.171 2.425 1.00 45.14 H new ATOM 0 HA ILE A 44 -5.330 -3.123 -0.126 1.00 2.45 H new ATOM 0 HB ILE A 44 -5.670 -4.688 2.450 1.00 24.21 H new ATOM 0 HG12 ILE A 44 -4.356 -2.686 2.911 1.00 51.13 H new ATOM 0 HG13 ILE A 44 -3.348 -4.119 2.958 1.00 51.13 H new ATOM 0 HG21 ILE A 44 -3.853 -6.065 1.488 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -5.284 -6.036 0.429 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -3.861 -5.046 0.029 1.00 1.00 H new ATOM 0 HD11 ILE A 44 -2.201 -2.277 1.828 1.00 2.41 H new ATOM 0 HD12 ILE A 44 -2.501 -3.615 0.693 1.00 2.41 H new ATOM 0 HD13 ILE A 44 -3.525 -2.160 0.645 1.00 2.41 H new ATOM 731 N GLU A 45 -7.494 -4.081 -0.948 1.00 24.04 N ATOM 732 CA GLU A 45 -8.696 -4.702 -1.476 1.00 44.14 C ATOM 733 C GLU A 45 -8.533 -6.218 -1.471 1.00 55.11 C ATOM 734 O GLU A 45 -9.440 -6.955 -1.081 1.00 4.04 O ATOM 735 CB GLU A 45 -8.959 -4.178 -2.893 1.00 14.23 C ATOM 736 CG GLU A 45 -10.425 -4.159 -3.302 1.00 11.21 C ATOM 737 CD GLU A 45 -10.989 -5.530 -3.601 1.00 33.01 C ATOM 738 OE1 GLU A 45 -10.642 -6.104 -4.654 1.00 51.34 O ATOM 739 OE2 GLU A 45 -11.813 -6.025 -2.802 1.00 71.11 O ATOM 0 H GLU A 45 -6.938 -3.586 -1.645 1.00 24.04 H new ATOM 0 HA GLU A 45 -9.552 -4.450 -0.851 1.00 44.14 H new ATOM 0 HB2 GLU A 45 -8.561 -3.166 -2.971 1.00 14.23 H new ATOM 0 HB3 GLU A 45 -8.406 -4.794 -3.602 1.00 14.23 H new ATOM 0 HG2 GLU A 45 -11.010 -3.701 -2.504 1.00 11.21 H new ATOM 0 HG3 GLU A 45 -10.539 -3.528 -4.184 1.00 11.21 H new ATOM 746 N GLY A 46 -7.360 -6.674 -1.877 1.00 75.34 N ATOM 747 CA GLY A 46 -7.076 -8.092 -1.882 1.00 72.30 C ATOM 748 C GLY A 46 -5.788 -8.408 -2.608 1.00 30.30 C ATOM 749 O GLY A 46 -5.134 -7.511 -3.134 1.00 43.01 O ATOM 0 H GLY A 46 -6.595 -6.084 -2.205 1.00 75.34 H new ATOM 0 HA2 GLY A 46 -7.012 -8.453 -0.855 1.00 72.30 H new ATOM 0 HA3 GLY A 46 -7.900 -8.625 -2.356 1.00 72.30 H new ATOM 753 N LYS A 47 -5.416 -9.676 -2.629 1.00 72.34 N ATOM 754 CA LYS A 47 -4.234 -10.113 -3.354 1.00 33.13 C ATOM 755 C LYS A 47 -4.650 -11.087 -4.444 1.00 0.25 C ATOM 756 O LYS A 47 -5.578 -11.874 -4.252 1.00 51.32 O ATOM 757 CB LYS A 47 -3.222 -10.768 -2.398 1.00 4.43 C ATOM 758 CG LYS A 47 -2.715 -9.829 -1.309 1.00 34.02 C ATOM 759 CD LYS A 47 -1.874 -10.557 -0.265 1.00 33.32 C ATOM 760 CE LYS A 47 -0.558 -11.064 -0.836 1.00 63.12 C ATOM 761 NZ LYS A 47 0.276 -11.728 0.205 1.00 42.10 N ATOM 0 H LYS A 47 -5.917 -10.424 -2.150 1.00 72.34 H new ATOM 0 HA LYS A 47 -3.750 -9.249 -3.809 1.00 33.13 H new ATOM 0 HB2 LYS A 47 -3.686 -11.636 -1.930 1.00 4.43 H new ATOM 0 HB3 LYS A 47 -2.373 -11.133 -2.976 1.00 4.43 H new ATOM 0 HG2 LYS A 47 -2.121 -9.036 -1.763 1.00 34.02 H new ATOM 0 HG3 LYS A 47 -3.564 -9.351 -0.820 1.00 34.02 H new ATOM 0 HD2 LYS A 47 -1.671 -9.884 0.568 1.00 33.32 H new ATOM 0 HD3 LYS A 47 -2.442 -11.397 0.135 1.00 33.32 H new ATOM 0 HE2 LYS A 47 -0.759 -11.767 -1.644 1.00 63.12 H new ATOM 0 HE3 LYS A 47 -0.004 -10.231 -1.269 1.00 63.12 H new ATOM 0 HZ1 LYS A 47 1.164 -12.060 -0.222 1.00 42.10 H new ATOM 0 HZ2 LYS A 47 0.489 -11.050 0.964 1.00 42.10 H new ATOM 0 HZ3 LYS A 47 -0.242 -12.538 0.600 1.00 42.10 H new ATOM 775 N ALA A 48 -3.984 -11.016 -5.591 1.00 63.55 N ATOM 776 CA ALA A 48 -4.296 -11.895 -6.709 1.00 40.23 C ATOM 777 C ALA A 48 -4.092 -13.355 -6.311 1.00 63.24 C ATOM 778 O ALA A 48 -3.380 -13.634 -5.347 1.00 42.20 O ATOM 779 CB ALA A 48 -3.437 -11.536 -7.914 1.00 10.52 C ATOM 0 H ALA A 48 -3.225 -10.359 -5.770 1.00 63.55 H new ATOM 0 HA ALA A 48 -5.343 -11.761 -6.981 1.00 40.23 H new ATOM 0 HB1 ALA A 48 -3.679 -12.200 -8.744 1.00 10.52 H new ATOM 0 HB2 ALA A 48 -3.633 -10.504 -8.206 1.00 10.52 H new ATOM 0 HB3 ALA A 48 -2.384 -11.647 -7.656 1.00 10.52 H new ATOM 785 N PRO A 49 -4.731 -14.300 -7.027 1.00 72.21 N ATOM 786 CA PRO A 49 -4.627 -15.737 -6.737 1.00 12.41 C ATOM 787 C PRO A 49 -3.192 -16.203 -6.477 1.00 22.54 C ATOM 788 O PRO A 49 -2.945 -16.991 -5.561 1.00 31.35 O ATOM 789 CB PRO A 49 -5.177 -16.379 -8.009 1.00 3.04 C ATOM 790 CG PRO A 49 -6.175 -15.400 -8.515 1.00 64.24 C ATOM 791 CD PRO A 49 -5.632 -14.039 -8.170 1.00 12.42 C ATOM 0 HA PRO A 49 -5.163 -16.005 -5.826 1.00 12.41 H new ATOM 0 HB2 PRO A 49 -4.387 -16.555 -8.739 1.00 3.04 H new ATOM 0 HB3 PRO A 49 -5.638 -17.344 -7.800 1.00 3.04 H new ATOM 0 HG2 PRO A 49 -6.313 -15.504 -9.591 1.00 64.24 H new ATOM 0 HG3 PRO A 49 -7.149 -15.561 -8.052 1.00 64.24 H new ATOM 0 HD2 PRO A 49 -5.096 -13.597 -9.010 1.00 12.42 H new ATOM 0 HD3 PRO A 49 -6.429 -13.346 -7.901 1.00 12.42 H new ATOM 799 N MET A 50 -2.254 -15.702 -7.276 1.00 35.32 N ATOM 800 CA MET A 50 -0.843 -16.069 -7.157 1.00 73.11 C ATOM 801 C MET A 50 -0.215 -15.469 -5.898 1.00 30.20 C ATOM 802 O MET A 50 0.787 -15.974 -5.390 1.00 4.52 O ATOM 803 CB MET A 50 -0.081 -15.589 -8.401 1.00 43.14 C ATOM 804 CG MET A 50 1.426 -15.777 -8.330 1.00 44.43 C ATOM 805 SD MET A 50 2.268 -15.165 -9.804 1.00 74.35 S ATOM 806 CE MET A 50 3.985 -15.405 -9.344 1.00 4.12 C ATOM 0 H MET A 50 -2.447 -15.033 -8.021 1.00 35.32 H new ATOM 0 HA MET A 50 -0.777 -17.154 -7.080 1.00 73.11 H new ATOM 0 HB2 MET A 50 -0.460 -16.123 -9.272 1.00 43.14 H new ATOM 0 HB3 MET A 50 -0.295 -14.532 -8.557 1.00 43.14 H new ATOM 0 HG2 MET A 50 1.813 -15.258 -7.453 1.00 44.43 H new ATOM 0 HG3 MET A 50 1.651 -16.835 -8.200 1.00 44.43 H new ATOM 0 HE1 MET A 50 4.630 -15.072 -10.157 1.00 4.12 H new ATOM 0 HE2 MET A 50 4.205 -14.827 -8.446 1.00 4.12 H new ATOM 0 HE3 MET A 50 4.165 -16.462 -9.148 1.00 4.12 H new ATOM 816 N GLY A 51 -0.826 -14.411 -5.389 1.00 13.20 N ATOM 817 CA GLY A 51 -0.239 -13.656 -4.300 1.00 71.01 C ATOM 818 C GLY A 51 0.317 -12.341 -4.799 1.00 12.02 C ATOM 819 O GLY A 51 0.744 -11.490 -4.017 1.00 41.30 O ATOM 0 H GLY A 51 -1.726 -14.058 -5.714 1.00 13.20 H new ATOM 0 HA2 GLY A 51 -0.991 -13.471 -3.533 1.00 71.01 H new ATOM 0 HA3 GLY A 51 0.555 -14.239 -3.834 1.00 71.01 H new ATOM 823 N ASP A 52 0.304 -12.196 -6.116 1.00 74.15 N ATOM 824 CA ASP A 52 0.775 -10.995 -6.794 1.00 40.14 C ATOM 825 C ASP A 52 0.090 -10.896 -8.153 1.00 22.40 C ATOM 826 O ASP A 52 -0.080 -11.910 -8.834 1.00 61.41 O ATOM 827 CB ASP A 52 2.297 -11.045 -6.972 1.00 42.54 C ATOM 828 CG ASP A 52 2.833 -9.906 -7.820 1.00 42.32 C ATOM 829 OD1 ASP A 52 2.915 -8.768 -7.319 1.00 74.03 O ATOM 830 OD2 ASP A 52 3.196 -10.153 -8.988 1.00 63.23 O ATOM 0 H ASP A 52 -0.038 -12.917 -6.752 1.00 74.15 H new ATOM 0 HA ASP A 52 0.531 -10.118 -6.194 1.00 40.14 H new ATOM 0 HB2 ASP A 52 2.773 -11.016 -5.992 1.00 42.54 H new ATOM 0 HB3 ASP A 52 2.572 -11.994 -7.432 1.00 42.54 H new ATOM 835 N PRO A 53 -0.328 -9.694 -8.573 1.00 71.21 N ATOM 836 CA PRO A 53 -0.121 -8.454 -7.827 1.00 4.22 C ATOM 837 C PRO A 53 -1.120 -8.269 -6.684 1.00 75.24 C ATOM 838 O PRO A 53 -1.878 -9.180 -6.340 1.00 55.13 O ATOM 839 CB PRO A 53 -0.320 -7.357 -8.883 1.00 32.14 C ATOM 840 CG PRO A 53 -0.608 -8.055 -10.175 1.00 35.12 C ATOM 841 CD PRO A 53 -1.040 -9.445 -9.823 1.00 44.51 C ATOM 0 HA PRO A 53 0.859 -8.440 -7.349 1.00 4.22 H new ATOM 0 HB2 PRO A 53 -1.143 -6.698 -8.607 1.00 32.14 H new ATOM 0 HB3 PRO A 53 0.571 -6.735 -8.969 1.00 32.14 H new ATOM 0 HG2 PRO A 53 -1.389 -7.535 -10.730 1.00 35.12 H new ATOM 0 HG3 PRO A 53 0.277 -8.074 -10.811 1.00 35.12 H new ATOM 0 HD2 PRO A 53 -2.120 -9.513 -9.694 1.00 44.51 H new ATOM 0 HD3 PRO A 53 -0.765 -10.163 -10.596 1.00 44.51 H new ATOM 849 N ILE A 54 -1.114 -7.080 -6.103 1.00 74.23 N ATOM 850 CA ILE A 54 -1.998 -6.764 -4.997 1.00 62.04 C ATOM 851 C ILE A 54 -2.961 -5.653 -5.403 1.00 12.11 C ATOM 852 O ILE A 54 -2.565 -4.689 -6.061 1.00 15.14 O ATOM 853 CB ILE A 54 -1.196 -6.323 -3.751 1.00 22.52 C ATOM 854 CG1 ILE A 54 -0.117 -7.357 -3.418 1.00 23.11 C ATOM 855 CG2 ILE A 54 -2.123 -6.118 -2.558 1.00 33.52 C ATOM 856 CD1 ILE A 54 0.779 -6.957 -2.264 1.00 71.42 C ATOM 0 H ILE A 54 -0.501 -6.314 -6.383 1.00 74.23 H new ATOM 0 HA ILE A 54 -2.560 -7.664 -4.745 1.00 62.04 H new ATOM 0 HB ILE A 54 -0.711 -5.373 -3.974 1.00 22.52 H new ATOM 0 HG12 ILE A 54 -0.598 -8.306 -3.180 1.00 23.11 H new ATOM 0 HG13 ILE A 54 0.498 -7.524 -4.302 1.00 23.11 H new ATOM 0 HG21 ILE A 54 -1.538 -5.808 -1.692 1.00 33.52 H new ATOM 0 HG22 ILE A 54 -2.856 -5.347 -2.795 1.00 33.52 H new ATOM 0 HG23 ILE A 54 -2.638 -7.052 -2.333 1.00 33.52 H new ATOM 0 HD11 ILE A 54 1.517 -7.739 -2.088 1.00 71.42 H new ATOM 0 HD12 ILE A 54 1.289 -6.024 -2.506 1.00 71.42 H new ATOM 0 HD13 ILE A 54 0.176 -6.819 -1.366 1.00 71.42 H new ATOM 868 N ALA A 55 -4.223 -5.803 -5.026 1.00 20.21 N ATOM 869 CA ALA A 55 -5.236 -4.808 -5.328 1.00 11.41 C ATOM 870 C ALA A 55 -5.249 -3.725 -4.256 1.00 60.24 C ATOM 871 O ALA A 55 -5.615 -3.977 -3.104 1.00 13.23 O ATOM 872 CB ALA A 55 -6.609 -5.458 -5.448 1.00 21.24 C ATOM 0 H ALA A 55 -4.569 -6.610 -4.507 1.00 20.21 H new ATOM 0 HA ALA A 55 -4.993 -4.347 -6.285 1.00 11.41 H new ATOM 0 HB1 ALA A 55 -7.354 -4.695 -5.675 1.00 21.24 H new ATOM 0 HB2 ALA A 55 -6.592 -6.198 -6.248 1.00 21.24 H new ATOM 0 HB3 ALA A 55 -6.864 -5.946 -4.507 1.00 21.24 H new ATOM 878 N LEU A 56 -4.837 -2.529 -4.637 1.00 71.22 N ATOM 879 CA LEU A 56 -4.760 -1.413 -3.711 1.00 13.35 C ATOM 880 C LEU A 56 -5.765 -0.345 -4.104 1.00 14.30 C ATOM 881 O LEU A 56 -5.900 -0.015 -5.280 1.00 32.42 O ATOM 882 CB LEU A 56 -3.356 -0.807 -3.718 1.00 34.21 C ATOM 883 CG LEU A 56 -2.205 -1.801 -3.559 1.00 41.33 C ATOM 884 CD1 LEU A 56 -0.871 -1.098 -3.755 1.00 71.43 C ATOM 885 CD2 LEU A 56 -2.260 -2.467 -2.194 1.00 22.04 C ATOM 0 H LEU A 56 -4.548 -2.305 -5.589 1.00 71.22 H new ATOM 0 HA LEU A 56 -4.986 -1.781 -2.710 1.00 13.35 H new ATOM 0 HB2 LEU A 56 -3.218 -0.266 -4.654 1.00 34.21 H new ATOM 0 HB3 LEU A 56 -3.292 -0.074 -2.914 1.00 34.21 H new ATOM 0 HG LEU A 56 -2.306 -2.573 -4.321 1.00 41.33 H new ATOM 0 HD11 LEU A 56 -0.060 -1.817 -3.639 1.00 71.43 H new ATOM 0 HD12 LEU A 56 -0.831 -0.665 -4.754 1.00 71.43 H new ATOM 0 HD13 LEU A 56 -0.764 -0.308 -3.012 1.00 71.43 H new ATOM 0 HD21 LEU A 56 -1.433 -3.171 -2.099 1.00 22.04 H new ATOM 0 HD22 LEU A 56 -2.182 -1.708 -1.415 1.00 22.04 H new ATOM 0 HD23 LEU A 56 -3.205 -3.000 -2.087 1.00 22.04 H new ATOM 897 N ARG A 57 -6.468 0.190 -3.127 1.00 33.11 N ATOM 898 CA ARG A 57 -7.419 1.254 -3.385 1.00 11.51 C ATOM 899 C ARG A 57 -6.755 2.604 -3.150 1.00 55.03 C ATOM 900 O ARG A 57 -6.488 2.981 -2.009 1.00 1.24 O ATOM 901 CB ARG A 57 -8.655 1.105 -2.497 1.00 65.43 C ATOM 902 CG ARG A 57 -9.782 2.052 -2.863 1.00 64.52 C ATOM 903 CD ARG A 57 -10.925 1.962 -1.869 1.00 50.24 C ATOM 904 NE ARG A 57 -12.083 2.741 -2.294 1.00 62.40 N ATOM 905 CZ ARG A 57 -12.860 3.433 -1.464 1.00 73.22 C ATOM 906 NH1 ARG A 57 -12.571 3.505 -0.171 1.00 64.14 N ATOM 907 NH2 ARG A 57 -13.926 4.068 -1.931 1.00 4.24 N ATOM 0 H ARG A 57 -6.400 -0.093 -2.149 1.00 33.11 H new ATOM 0 HA ARG A 57 -7.742 1.191 -4.424 1.00 11.51 H new ATOM 0 HB2 ARG A 57 -9.018 0.079 -2.562 1.00 65.43 H new ATOM 0 HB3 ARG A 57 -8.370 1.277 -1.459 1.00 65.43 H new ATOM 0 HG2 ARG A 57 -9.405 3.074 -2.894 1.00 64.52 H new ATOM 0 HG3 ARG A 57 -10.147 1.816 -3.862 1.00 64.52 H new ATOM 0 HD2 ARG A 57 -11.216 0.919 -1.745 1.00 50.24 H new ATOM 0 HD3 ARG A 57 -10.587 2.317 -0.895 1.00 50.24 H new ATOM 0 HE ARG A 57 -12.311 2.756 -3.288 1.00 62.40 H new ATOM 0 HH11 ARG A 57 -11.747 3.028 0.195 1.00 64.14 H new ATOM 0 HH12 ARG A 57 -13.173 4.038 0.457 1.00 64.14 H new ATOM 0 HH21 ARG A 57 -14.150 4.026 -2.925 1.00 4.24 H new ATOM 0 HH22 ARG A 57 -14.522 4.599 -1.296 1.00 4.24 H new ATOM 921 N LEU A 58 -6.476 3.316 -4.231 1.00 53.15 N ATOM 922 CA LEU A 58 -5.794 4.599 -4.146 1.00 73.24 C ATOM 923 C LEU A 58 -6.512 5.635 -4.996 1.00 3.33 C ATOM 924 O LEU A 58 -7.199 5.278 -5.957 1.00 43.43 O ATOM 925 CB LEU A 58 -4.294 4.479 -4.533 1.00 71.14 C ATOM 926 CG LEU A 58 -3.921 4.112 -5.998 1.00 44.25 C ATOM 927 CD1 LEU A 58 -4.678 2.893 -6.503 1.00 21.24 C ATOM 928 CD2 LEU A 58 -4.109 5.297 -6.937 1.00 35.43 C ATOM 0 H LEU A 58 -6.712 3.026 -5.180 1.00 53.15 H new ATOM 0 HA LEU A 58 -5.823 4.931 -3.108 1.00 73.24 H new ATOM 0 HB2 LEU A 58 -3.817 5.431 -4.300 1.00 71.14 H new ATOM 0 HB3 LEU A 58 -3.845 3.730 -3.881 1.00 71.14 H new ATOM 0 HG LEU A 58 -2.863 3.851 -5.990 1.00 44.25 H new ATOM 0 HD11 LEU A 58 -4.381 2.680 -7.530 1.00 21.24 H new ATOM 0 HD12 LEU A 58 -4.447 2.034 -5.873 1.00 21.24 H new ATOM 0 HD13 LEU A 58 -5.749 3.090 -6.469 1.00 21.24 H new ATOM 0 HD21 LEU A 58 -3.839 5.004 -7.951 1.00 35.43 H new ATOM 0 HD22 LEU A 58 -5.151 5.616 -6.917 1.00 35.43 H new ATOM 0 HD23 LEU A 58 -3.472 6.121 -6.616 1.00 35.43 H new ATOM 940 N ARG A 59 -6.368 6.909 -4.618 1.00 3.04 N ATOM 941 CA ARG A 59 -7.013 8.032 -5.314 1.00 32.01 C ATOM 942 C ARG A 59 -8.525 8.022 -5.069 1.00 23.33 C ATOM 943 O ARG A 59 -9.095 9.002 -4.589 1.00 12.13 O ATOM 944 CB ARG A 59 -6.720 7.983 -6.821 1.00 22.12 C ATOM 945 CG ARG A 59 -6.112 9.260 -7.390 1.00 10.10 C ATOM 946 CD ARG A 59 -7.080 10.430 -7.324 1.00 41.02 C ATOM 947 NE ARG A 59 -6.566 11.603 -8.029 1.00 41.54 N ATOM 948 CZ ARG A 59 -7.250 12.732 -8.205 1.00 2.54 C ATOM 949 NH1 ARG A 59 -8.456 12.881 -7.673 1.00 11.14 N ATOM 950 NH2 ARG A 59 -6.712 13.723 -8.903 1.00 51.13 N ATOM 0 H ARG A 59 -5.800 7.193 -3.820 1.00 3.04 H new ATOM 0 HA ARG A 59 -6.600 8.958 -4.913 1.00 32.01 H new ATOM 0 HB2 ARG A 59 -6.042 7.153 -7.019 1.00 22.12 H new ATOM 0 HB3 ARG A 59 -7.648 7.770 -7.352 1.00 22.12 H new ATOM 0 HG2 ARG A 59 -5.206 9.508 -6.837 1.00 10.10 H new ATOM 0 HG3 ARG A 59 -5.817 9.091 -8.426 1.00 10.10 H new ATOM 0 HD2 ARG A 59 -8.036 10.136 -7.758 1.00 41.02 H new ATOM 0 HD3 ARG A 59 -7.269 10.687 -6.282 1.00 41.02 H new ATOM 0 HE ARG A 59 -5.622 11.553 -8.411 1.00 41.54 H new ATOM 0 HH11 ARG A 59 -8.868 12.127 -7.123 1.00 11.14 H new ATOM 0 HH12 ARG A 59 -8.972 13.750 -7.814 1.00 11.14 H new ATOM 0 HH21 ARG A 59 -5.779 13.618 -9.302 1.00 51.13 H new ATOM 0 HH22 ARG A 59 -7.231 14.590 -9.041 1.00 51.13 H new ATOM 964 N GLY A 60 -9.159 6.907 -5.389 1.00 64.41 N ATOM 965 CA GLY A 60 -10.587 6.777 -5.212 1.00 55.23 C ATOM 966 C GLY A 60 -11.059 5.361 -5.448 1.00 2.13 C ATOM 967 O GLY A 60 -11.991 4.895 -4.797 1.00 30.04 O ATOM 0 H GLY A 60 -8.703 6.080 -5.773 1.00 64.41 H new ATOM 0 HA2 GLY A 60 -10.857 7.086 -4.202 1.00 55.23 H new ATOM 0 HA3 GLY A 60 -11.100 7.450 -5.899 1.00 55.23 H new ATOM 971 N TYR A 61 -10.395 4.666 -6.362 1.00 21.42 N ATOM 972 CA TYR A 61 -10.788 3.314 -6.731 1.00 41.10 C ATOM 973 C TYR A 61 -9.618 2.350 -6.591 1.00 53.20 C ATOM 974 O TYR A 61 -8.468 2.769 -6.455 1.00 73.23 O ATOM 975 CB TYR A 61 -11.341 3.281 -8.160 1.00 75.40 C ATOM 976 CG TYR A 61 -10.546 4.093 -9.166 1.00 70.21 C ATOM 977 CD1 TYR A 61 -10.773 5.456 -9.320 1.00 41.15 C ATOM 978 CD2 TYR A 61 -9.570 3.500 -9.958 1.00 61.44 C ATOM 979 CE1 TYR A 61 -10.058 6.202 -10.235 1.00 1.41 C ATOM 980 CE2 TYR A 61 -8.849 4.241 -10.877 1.00 3.30 C ATOM 981 CZ TYR A 61 -9.093 5.593 -11.009 1.00 64.34 C ATOM 982 OH TYR A 61 -8.377 6.336 -11.922 1.00 22.32 O ATOM 0 H TYR A 61 -9.579 5.018 -6.863 1.00 21.42 H new ATOM 0 HA TYR A 61 -11.576 2.995 -6.049 1.00 41.10 H new ATOM 0 HB2 TYR A 61 -11.378 2.245 -8.497 1.00 75.40 H new ATOM 0 HB3 TYR A 61 -12.367 3.648 -8.147 1.00 75.40 H new ATOM 0 HD1 TYR A 61 -11.523 5.940 -8.712 1.00 41.15 H new ATOM 0 HD2 TYR A 61 -9.371 2.444 -9.854 1.00 61.44 H new ATOM 0 HE1 TYR A 61 -10.254 7.259 -10.344 1.00 1.41 H new ATOM 0 HE2 TYR A 61 -8.098 3.763 -11.489 1.00 3.30 H new ATOM 0 HH TYR A 61 -7.736 5.757 -12.385 1.00 22.32 H new ATOM 992 N SER A 62 -9.919 1.064 -6.610 1.00 15.41 N ATOM 993 CA SER A 62 -8.901 0.042 -6.450 1.00 43.03 C ATOM 994 C SER A 62 -8.259 -0.301 -7.786 1.00 72.40 C ATOM 995 O SER A 62 -8.912 -0.288 -8.831 1.00 51.31 O ATOM 996 CB SER A 62 -9.501 -1.213 -5.820 1.00 12.04 C ATOM 997 OG SER A 62 -8.535 -2.238 -5.664 1.00 43.01 O ATOM 0 H SER A 62 -10.864 0.702 -6.735 1.00 15.41 H new ATOM 0 HA SER A 62 -8.129 0.436 -5.789 1.00 43.03 H new ATOM 0 HB2 SER A 62 -9.926 -0.964 -4.848 1.00 12.04 H new ATOM 0 HB3 SER A 62 -10.319 -1.576 -6.442 1.00 12.04 H new ATOM 0 HG SER A 62 -8.973 -3.112 -5.726 1.00 43.01 H new ATOM 1003 N LEU A 63 -6.977 -0.611 -7.727 1.00 62.41 N ATOM 1004 CA LEU A 63 -6.189 -0.967 -8.898 1.00 10.33 C ATOM 1005 C LEU A 63 -5.157 -2.020 -8.515 1.00 11.03 C ATOM 1006 O LEU A 63 -4.850 -2.191 -7.338 1.00 61.20 O ATOM 1007 CB LEU A 63 -5.497 0.271 -9.478 1.00 13.44 C ATOM 1008 CG LEU A 63 -6.430 1.299 -10.128 1.00 44.35 C ATOM 1009 CD1 LEU A 63 -5.669 2.569 -10.478 1.00 53.33 C ATOM 1010 CD2 LEU A 63 -7.085 0.712 -11.371 1.00 34.12 C ATOM 0 H LEU A 63 -6.446 -0.624 -6.856 1.00 62.41 H new ATOM 0 HA LEU A 63 -6.852 -1.374 -9.662 1.00 10.33 H new ATOM 0 HB2 LEU A 63 -4.941 0.763 -8.680 1.00 13.44 H new ATOM 0 HB3 LEU A 63 -4.769 -0.055 -10.221 1.00 13.44 H new ATOM 0 HG LEU A 63 -7.211 1.554 -9.412 1.00 44.35 H new ATOM 0 HD11 LEU A 63 -6.349 3.286 -10.938 1.00 53.33 H new ATOM 0 HD12 LEU A 63 -5.246 3.001 -9.571 1.00 53.33 H new ATOM 0 HD13 LEU A 63 -4.866 2.331 -11.176 1.00 53.33 H new ATOM 0 HD21 LEU A 63 -7.744 1.455 -11.820 1.00 34.12 H new ATOM 0 HD22 LEU A 63 -6.315 0.429 -12.089 1.00 34.12 H new ATOM 0 HD23 LEU A 63 -7.665 -0.168 -11.095 1.00 34.12 H new ATOM 1022 N SER A 64 -4.628 -2.723 -9.498 1.00 65.34 N ATOM 1023 CA SER A 64 -3.678 -3.787 -9.232 1.00 51.41 C ATOM 1024 C SER A 64 -2.249 -3.288 -9.398 1.00 65.31 C ATOM 1025 O SER A 64 -1.864 -2.806 -10.465 1.00 25.00 O ATOM 1026 CB SER A 64 -3.949 -4.972 -10.154 1.00 42.32 C ATOM 1027 OG SER A 64 -3.151 -6.092 -9.817 1.00 1.33 O ATOM 0 H SER A 64 -4.839 -2.578 -10.485 1.00 65.34 H new ATOM 0 HA SER A 64 -3.800 -4.114 -8.200 1.00 51.41 H new ATOM 0 HB2 SER A 64 -5.003 -5.245 -10.095 1.00 42.32 H new ATOM 0 HB3 SER A 64 -3.752 -4.682 -11.186 1.00 42.32 H new ATOM 0 HG SER A 64 -3.223 -6.268 -8.856 1.00 1.33 H new ATOM 1033 N LEU A 65 -1.484 -3.398 -8.328 1.00 53.41 N ATOM 1034 CA LEU A 65 -0.081 -2.988 -8.317 1.00 52.45 C ATOM 1035 C LEU A 65 0.789 -4.174 -7.925 1.00 1.33 C ATOM 1036 O LEU A 65 0.394 -4.978 -7.080 1.00 65.43 O ATOM 1037 CB LEU A 65 0.164 -1.829 -7.335 1.00 55.51 C ATOM 1038 CG LEU A 65 -0.355 -0.445 -7.756 1.00 54.51 C ATOM 1039 CD1 LEU A 65 0.080 -0.110 -9.175 1.00 44.44 C ATOM 1040 CD2 LEU A 65 -1.868 -0.360 -7.622 1.00 64.13 C ATOM 0 H LEU A 65 -1.812 -3.774 -7.438 1.00 53.41 H new ATOM 0 HA LEU A 65 0.177 -2.643 -9.318 1.00 52.45 H new ATOM 0 HB2 LEU A 65 -0.295 -2.089 -6.381 1.00 55.51 H new ATOM 0 HB3 LEU A 65 1.237 -1.751 -7.161 1.00 55.51 H new ATOM 0 HG LEU A 65 0.083 0.292 -7.083 1.00 54.51 H new ATOM 0 HD11 LEU A 65 -0.300 0.874 -9.449 1.00 44.44 H new ATOM 0 HD12 LEU A 65 1.169 -0.107 -9.231 1.00 44.44 H new ATOM 0 HD13 LEU A 65 -0.317 -0.857 -9.863 1.00 44.44 H new ATOM 0 HD21 LEU A 65 -2.205 0.631 -7.927 1.00 64.13 H new ATOM 0 HD22 LEU A 65 -2.333 -1.113 -8.258 1.00 64.13 H new ATOM 0 HD23 LEU A 65 -2.152 -0.536 -6.584 1.00 64.13 H new ATOM 1052 N ARG A 66 1.967 -4.286 -8.527 1.00 72.23 N ATOM 1053 CA ARG A 66 2.846 -5.418 -8.257 1.00 2.22 C ATOM 1054 C ARG A 66 3.455 -5.313 -6.865 1.00 4.14 C ATOM 1055 O ARG A 66 3.583 -4.219 -6.306 1.00 10.03 O ATOM 1056 CB ARG A 66 3.960 -5.510 -9.301 1.00 25.12 C ATOM 1057 CG ARG A 66 3.488 -5.948 -10.679 1.00 33.02 C ATOM 1058 CD ARG A 66 3.032 -7.399 -10.689 1.00 23.42 C ATOM 1059 NE ARG A 66 2.605 -7.824 -12.024 1.00 23.12 N ATOM 1060 CZ ARG A 66 2.211 -9.062 -12.331 1.00 20.54 C ATOM 1061 NH1 ARG A 66 2.231 -10.029 -11.419 1.00 40.44 N ATOM 1062 NH2 ARG A 66 1.826 -9.340 -13.568 1.00 44.33 N ATOM 0 H ARG A 66 2.334 -3.613 -9.200 1.00 72.23 H new ATOM 0 HA ARG A 66 2.240 -6.323 -8.310 1.00 2.22 H new ATOM 0 HB2 ARG A 66 4.443 -4.537 -9.387 1.00 25.12 H new ATOM 0 HB3 ARG A 66 4.716 -6.211 -8.948 1.00 25.12 H new ATOM 0 HG2 ARG A 66 2.667 -5.308 -11.002 1.00 33.02 H new ATOM 0 HG3 ARG A 66 4.297 -5.817 -11.398 1.00 33.02 H new ATOM 0 HD2 ARG A 66 3.846 -8.038 -10.347 1.00 23.42 H new ATOM 0 HD3 ARG A 66 2.209 -7.527 -9.986 1.00 23.42 H new ATOM 0 HE ARG A 66 2.609 -7.127 -12.769 1.00 23.12 H new ATOM 0 HH11 ARG A 66 2.550 -9.829 -10.471 1.00 40.44 H new ATOM 0 HH12 ARG A 66 1.927 -10.971 -11.667 1.00 40.44 H new ATOM 0 HH21 ARG A 66 1.832 -8.610 -14.280 1.00 44.33 H new ATOM 0 HH22 ARG A 66 1.524 -10.284 -13.808 1.00 44.33 H new ATOM 1076 N LYS A 67 3.828 -6.462 -6.320 1.00 34.13 N ATOM 1077 CA LYS A 67 4.459 -6.554 -5.009 1.00 34.54 C ATOM 1078 C LYS A 67 5.723 -5.694 -4.946 1.00 14.34 C ATOM 1079 O LYS A 67 6.075 -5.164 -3.893 1.00 54.35 O ATOM 1080 CB LYS A 67 4.791 -8.020 -4.727 1.00 30.15 C ATOM 1081 CG LYS A 67 5.227 -8.312 -3.303 1.00 4.14 C ATOM 1082 CD LYS A 67 5.402 -9.808 -3.097 1.00 12.24 C ATOM 1083 CE LYS A 67 5.741 -10.152 -1.657 1.00 72.05 C ATOM 1084 NZ LYS A 67 5.844 -11.621 -1.457 1.00 50.23 N ATOM 0 H LYS A 67 3.701 -7.364 -6.778 1.00 34.13 H new ATOM 0 HA LYS A 67 3.772 -6.179 -4.251 1.00 34.54 H new ATOM 0 HB2 LYS A 67 3.915 -8.627 -4.955 1.00 30.15 H new ATOM 0 HB3 LYS A 67 5.583 -8.336 -5.406 1.00 30.15 H new ATOM 0 HG2 LYS A 67 6.164 -7.797 -3.090 1.00 4.14 H new ATOM 0 HG3 LYS A 67 4.486 -7.927 -2.603 1.00 4.14 H new ATOM 0 HD2 LYS A 67 4.486 -10.323 -3.386 1.00 12.24 H new ATOM 0 HD3 LYS A 67 6.193 -10.173 -3.752 1.00 12.24 H new ATOM 0 HE2 LYS A 67 6.684 -9.679 -1.381 1.00 72.05 H new ATOM 0 HE3 LYS A 67 4.976 -9.747 -0.995 1.00 72.05 H new ATOM 0 HZ1 LYS A 67 6.076 -11.821 -0.463 1.00 50.23 H new ATOM 0 HZ2 LYS A 67 4.936 -12.068 -1.697 1.00 50.23 H new ATOM 0 HZ3 LYS A 67 6.591 -12.003 -2.071 1.00 50.23 H new ATOM 1098 N SER A 68 6.387 -5.553 -6.087 1.00 3.10 N ATOM 1099 CA SER A 68 7.581 -4.727 -6.192 1.00 44.35 C ATOM 1100 C SER A 68 7.272 -3.252 -5.920 1.00 13.41 C ATOM 1101 O SER A 68 8.066 -2.550 -5.297 1.00 1.43 O ATOM 1102 CB SER A 68 8.200 -4.894 -7.579 1.00 4.44 C ATOM 1103 OG SER A 68 7.190 -4.974 -8.574 1.00 44.41 O ATOM 0 H SER A 68 6.114 -6.005 -6.960 1.00 3.10 H new ATOM 0 HA SER A 68 8.292 -5.057 -5.434 1.00 44.35 H new ATOM 0 HB2 SER A 68 8.861 -4.053 -7.791 1.00 4.44 H new ATOM 0 HB3 SER A 68 8.813 -5.795 -7.603 1.00 4.44 H new ATOM 0 HG SER A 68 6.738 -4.108 -8.652 1.00 44.41 H new ATOM 1109 N GLU A 69 6.115 -2.788 -6.385 1.00 63.12 N ATOM 1110 CA GLU A 69 5.706 -1.407 -6.158 1.00 72.25 C ATOM 1111 C GLU A 69 5.273 -1.208 -4.709 1.00 1.51 C ATOM 1112 O GLU A 69 5.583 -0.192 -4.089 1.00 74.21 O ATOM 1113 CB GLU A 69 4.574 -0.993 -7.111 1.00 72.21 C ATOM 1114 CG GLU A 69 5.023 -0.771 -8.549 1.00 42.33 C ATOM 1115 CD GLU A 69 5.057 -2.045 -9.368 1.00 70.02 C ATOM 1116 OE1 GLU A 69 4.018 -2.385 -9.973 1.00 24.14 O ATOM 1117 OE2 GLU A 69 6.120 -2.700 -9.434 1.00 70.21 O ATOM 0 H GLU A 69 5.448 -3.346 -6.918 1.00 63.12 H new ATOM 0 HA GLU A 69 6.567 -0.770 -6.361 1.00 72.25 H new ATOM 0 HB2 GLU A 69 3.802 -1.762 -7.097 1.00 72.21 H new ATOM 0 HB3 GLU A 69 4.117 -0.076 -6.739 1.00 72.21 H new ATOM 0 HG2 GLU A 69 4.351 -0.058 -9.026 1.00 42.33 H new ATOM 0 HG3 GLU A 69 6.016 -0.321 -8.547 1.00 42.33 H new ATOM 1124 N ALA A 70 4.574 -2.198 -4.165 1.00 12.44 N ATOM 1125 CA ALA A 70 4.126 -2.149 -2.775 1.00 15.55 C ATOM 1126 C ALA A 70 5.318 -2.189 -1.821 1.00 4.11 C ATOM 1127 O ALA A 70 5.235 -1.741 -0.678 1.00 65.54 O ATOM 1128 CB ALA A 70 3.174 -3.301 -2.491 1.00 32.41 C ATOM 0 H ALA A 70 4.304 -3.045 -4.664 1.00 12.44 H new ATOM 0 HA ALA A 70 3.596 -1.210 -2.614 1.00 15.55 H new ATOM 0 HB1 ALA A 70 2.846 -3.255 -1.452 1.00 32.41 H new ATOM 0 HB2 ALA A 70 2.308 -3.228 -3.148 1.00 32.41 H new ATOM 0 HB3 ALA A 70 3.685 -4.247 -2.668 1.00 32.41 H new ATOM 1134 N LYS A 71 6.426 -2.732 -2.305 1.00 63.02 N ATOM 1135 CA LYS A 71 7.671 -2.780 -1.547 1.00 74.14 C ATOM 1136 C LYS A 71 8.202 -1.383 -1.244 1.00 71.32 C ATOM 1137 O LYS A 71 8.782 -1.145 -0.182 1.00 54.41 O ATOM 1138 CB LYS A 71 8.711 -3.604 -2.329 1.00 11.53 C ATOM 1139 CG LYS A 71 10.166 -3.241 -2.048 1.00 73.02 C ATOM 1140 CD LYS A 71 10.654 -2.167 -3.012 1.00 44.01 C ATOM 1141 CE LYS A 71 12.003 -1.598 -2.605 1.00 74.04 C ATOM 1142 NZ LYS A 71 12.474 -0.555 -3.558 1.00 44.25 N ATOM 0 H LYS A 71 6.489 -3.151 -3.233 1.00 63.02 H new ATOM 0 HA LYS A 71 7.475 -3.259 -0.588 1.00 74.14 H new ATOM 0 HB2 LYS A 71 8.564 -4.659 -2.098 1.00 11.53 H new ATOM 0 HB3 LYS A 71 8.521 -3.482 -3.395 1.00 11.53 H new ATOM 0 HG2 LYS A 71 10.265 -2.887 -1.022 1.00 73.02 H new ATOM 0 HG3 LYS A 71 10.791 -4.129 -2.140 1.00 73.02 H new ATOM 0 HD2 LYS A 71 10.727 -2.588 -4.015 1.00 44.01 H new ATOM 0 HD3 LYS A 71 9.921 -1.362 -3.057 1.00 44.01 H new ATOM 0 HE2 LYS A 71 11.930 -1.170 -1.605 1.00 74.04 H new ATOM 0 HE3 LYS A 71 12.737 -2.403 -2.555 1.00 74.04 H new ATOM 0 HZ1 LYS A 71 13.364 -0.144 -3.210 1.00 44.25 H new ATOM 0 HZ2 LYS A 71 12.633 -0.984 -4.492 1.00 44.25 H new ATOM 0 HZ3 LYS A 71 11.755 0.192 -3.638 1.00 44.25 H new ATOM 1156 N ASP A 72 7.981 -0.462 -2.166 1.00 41.30 N ATOM 1157 CA ASP A 72 8.642 0.834 -2.119 1.00 72.14 C ATOM 1158 C ASP A 72 7.847 1.845 -1.301 1.00 5.31 C ATOM 1159 O ASP A 72 8.300 2.963 -1.057 1.00 24.11 O ATOM 1160 CB ASP A 72 8.846 1.349 -3.539 1.00 71.35 C ATOM 1161 CG ASP A 72 10.039 2.267 -3.653 1.00 24.35 C ATOM 1162 OD1 ASP A 72 11.182 1.750 -3.710 1.00 53.54 O ATOM 1163 OD2 ASP A 72 9.844 3.495 -3.702 1.00 62.25 O ATOM 0 H ASP A 72 7.349 -0.586 -2.957 1.00 41.30 H new ATOM 0 HA ASP A 72 9.607 0.707 -1.629 1.00 72.14 H new ATOM 0 HB2 ASP A 72 8.976 0.503 -4.214 1.00 71.35 H new ATOM 0 HB3 ASP A 72 7.950 1.880 -3.862 1.00 71.35 H new ATOM 1168 N ILE A 73 6.663 1.442 -0.864 1.00 31.14 N ATOM 1169 CA ILE A 73 5.802 2.322 -0.091 1.00 5.01 C ATOM 1170 C ILE A 73 5.807 1.930 1.386 1.00 11.21 C ATOM 1171 O ILE A 73 5.381 0.831 1.747 1.00 61.12 O ATOM 1172 CB ILE A 73 4.348 2.291 -0.613 1.00 42.43 C ATOM 1173 CG1 ILE A 73 4.307 2.642 -2.103 1.00 33.32 C ATOM 1174 CG2 ILE A 73 3.480 3.255 0.184 1.00 60.43 C ATOM 1175 CD1 ILE A 73 2.931 2.511 -2.720 1.00 51.24 C ATOM 0 H ILE A 73 6.278 0.513 -1.032 1.00 31.14 H new ATOM 0 HA ILE A 73 6.197 3.332 -0.202 1.00 5.01 H new ATOM 0 HB ILE A 73 3.955 1.282 -0.485 1.00 42.43 H new ATOM 0 HG12 ILE A 73 4.660 3.665 -2.236 1.00 33.32 H new ATOM 0 HG13 ILE A 73 5.000 1.993 -2.639 1.00 33.32 H new ATOM 0 HG21 ILE A 73 2.458 3.223 -0.195 1.00 60.43 H new ATOM 0 HG22 ILE A 73 3.487 2.967 1.235 1.00 60.43 H new ATOM 0 HG23 ILE A 73 3.873 4.267 0.083 1.00 60.43 H new ATOM 0 HD11 ILE A 73 2.979 2.776 -3.776 1.00 51.24 H new ATOM 0 HD12 ILE A 73 2.583 1.483 -2.619 1.00 51.24 H new ATOM 0 HD13 ILE A 73 2.238 3.180 -2.210 1.00 51.24 H new ATOM 1187 N LEU A 74 6.311 2.821 2.230 1.00 15.01 N ATOM 1188 CA LEU A 74 6.276 2.628 3.669 1.00 44.02 C ATOM 1189 C LEU A 74 4.955 3.150 4.224 1.00 24.33 C ATOM 1190 O LEU A 74 4.580 4.298 3.977 1.00 20.34 O ATOM 1191 CB LEU A 74 7.440 3.367 4.337 1.00 34.21 C ATOM 1192 CG LEU A 74 8.850 2.883 3.980 1.00 12.53 C ATOM 1193 CD1 LEU A 74 9.001 1.395 4.254 1.00 30.43 C ATOM 1194 CD2 LEU A 74 9.209 3.205 2.536 1.00 70.24 C ATOM 0 H LEU A 74 6.753 3.692 1.936 1.00 15.01 H new ATOM 0 HA LEU A 74 6.368 1.563 3.881 1.00 44.02 H new ATOM 0 HB2 LEU A 74 7.366 4.424 4.080 1.00 34.21 H new ATOM 0 HB3 LEU A 74 7.317 3.293 5.417 1.00 34.21 H new ATOM 0 HG LEU A 74 9.549 3.422 4.620 1.00 12.53 H new ATOM 0 HD11 LEU A 74 10.010 1.077 3.992 1.00 30.43 H new ATOM 0 HD12 LEU A 74 8.822 1.200 5.311 1.00 30.43 H new ATOM 0 HD13 LEU A 74 8.279 0.840 3.655 1.00 30.43 H new ATOM 0 HD21 LEU A 74 10.216 2.846 2.323 1.00 70.24 H new ATOM 0 HD22 LEU A 74 8.500 2.717 1.867 1.00 70.24 H new ATOM 0 HD23 LEU A 74 9.169 4.283 2.383 1.00 70.24 H new ATOM 1206 N VAL A 75 4.256 2.312 4.969 1.00 72.11 N ATOM 1207 CA VAL A 75 2.942 2.661 5.492 1.00 71.11 C ATOM 1208 C VAL A 75 2.842 2.383 6.989 1.00 41.42 C ATOM 1209 O VAL A 75 3.553 1.528 7.523 1.00 34.05 O ATOM 1210 CB VAL A 75 1.823 1.881 4.765 1.00 62.21 C ATOM 1211 CG1 VAL A 75 1.720 2.307 3.309 1.00 43.14 C ATOM 1212 CG2 VAL A 75 2.060 0.380 4.867 1.00 3.04 C ATOM 0 H VAL A 75 4.577 1.379 5.228 1.00 72.11 H new ATOM 0 HA VAL A 75 2.812 3.729 5.317 1.00 71.11 H new ATOM 0 HB VAL A 75 0.878 2.115 5.254 1.00 62.21 H new ATOM 0 HG11 VAL A 75 0.925 1.743 2.820 1.00 43.14 H new ATOM 0 HG12 VAL A 75 1.494 3.372 3.257 1.00 43.14 H new ATOM 0 HG13 VAL A 75 2.666 2.111 2.805 1.00 43.14 H new ATOM 0 HG21 VAL A 75 1.261 -0.151 4.349 1.00 3.04 H new ATOM 0 HG22 VAL A 75 3.017 0.131 4.409 1.00 3.04 H new ATOM 0 HG23 VAL A 75 2.071 0.084 5.916 1.00 3.04 H new ATOM 1222 N GLU A 76 1.965 3.117 7.666 1.00 60.51 N ATOM 1223 CA GLU A 76 1.676 2.851 9.069 1.00 75.52 C ATOM 1224 C GLU A 76 0.348 2.118 9.178 1.00 21.14 C ATOM 1225 O GLU A 76 -0.547 2.321 8.355 1.00 4.42 O ATOM 1226 CB GLU A 76 1.635 4.145 9.898 1.00 22.12 C ATOM 1227 CG GLU A 76 0.443 5.046 9.598 1.00 71.23 C ATOM 1228 CD GLU A 76 0.336 6.216 10.559 1.00 44.32 C ATOM 1229 OE1 GLU A 76 0.072 5.987 11.761 1.00 53.51 O ATOM 1230 OE2 GLU A 76 0.517 7.375 10.122 1.00 22.11 O ATOM 0 H GLU A 76 1.444 3.898 7.267 1.00 60.51 H new ATOM 0 HA GLU A 76 2.478 2.231 9.471 1.00 75.52 H new ATOM 0 HB2 GLU A 76 1.621 3.884 10.956 1.00 22.12 H new ATOM 0 HB3 GLU A 76 2.553 4.706 9.720 1.00 22.12 H new ATOM 0 HG2 GLU A 76 0.526 5.424 8.579 1.00 71.23 H new ATOM 0 HG3 GLU A 76 -0.473 4.457 9.645 1.00 71.23 H new ATOM 1237 N VAL A 77 0.221 1.267 10.180 1.00 63.15 N ATOM 1238 CA VAL A 77 -0.994 0.489 10.361 1.00 64.34 C ATOM 1239 C VAL A 77 -1.984 1.255 11.226 1.00 3.43 C ATOM 1240 O VAL A 77 -1.729 1.510 12.402 1.00 42.52 O ATOM 1241 CB VAL A 77 -0.701 -0.886 11.000 1.00 54.41 C ATOM 1242 CG1 VAL A 77 -1.980 -1.706 11.132 1.00 54.33 C ATOM 1243 CG2 VAL A 77 0.339 -1.643 10.186 1.00 65.41 C ATOM 0 H VAL A 77 0.942 1.096 10.881 1.00 63.15 H new ATOM 0 HA VAL A 77 -1.425 0.319 9.374 1.00 64.34 H new ATOM 0 HB VAL A 77 -0.301 -0.718 12.000 1.00 54.41 H new ATOM 0 HG11 VAL A 77 -1.749 -2.670 11.585 1.00 54.33 H new ATOM 0 HG12 VAL A 77 -2.692 -1.171 11.761 1.00 54.33 H new ATOM 0 HG13 VAL A 77 -2.415 -1.863 10.145 1.00 54.33 H new ATOM 0 HG21 VAL A 77 0.533 -2.609 10.652 1.00 65.41 H new ATOM 0 HG22 VAL A 77 -0.033 -1.796 9.173 1.00 65.41 H new ATOM 0 HG23 VAL A 77 1.263 -1.066 10.150 1.00 65.41 H new ATOM 1253 N LEU A 78 -3.108 1.631 10.635 1.00 32.23 N ATOM 1254 CA LEU A 78 -4.116 2.412 11.339 1.00 34.55 C ATOM 1255 C LEU A 78 -5.184 1.516 11.950 1.00 44.11 C ATOM 1256 O LEU A 78 -6.135 1.990 12.570 1.00 35.14 O ATOM 1257 CB LEU A 78 -4.763 3.405 10.383 1.00 33.50 C ATOM 1258 CG LEU A 78 -3.854 4.544 9.920 1.00 64.43 C ATOM 1259 CD1 LEU A 78 -4.580 5.433 8.926 1.00 2.14 C ATOM 1260 CD2 LEU A 78 -3.369 5.359 11.111 1.00 64.23 C ATOM 0 H LEU A 78 -3.346 1.408 9.669 1.00 32.23 H new ATOM 0 HA LEU A 78 -3.621 2.950 12.147 1.00 34.55 H new ATOM 0 HB2 LEU A 78 -5.117 2.864 9.506 1.00 33.50 H new ATOM 0 HB3 LEU A 78 -5.640 3.834 10.868 1.00 33.50 H new ATOM 0 HG LEU A 78 -2.985 4.111 9.424 1.00 64.43 H new ATOM 0 HD11 LEU A 78 -3.918 6.238 8.607 1.00 2.14 H new ATOM 0 HD12 LEU A 78 -4.877 4.843 8.059 1.00 2.14 H new ATOM 0 HD13 LEU A 78 -5.467 5.857 9.397 1.00 2.14 H new ATOM 0 HD21 LEU A 78 -2.723 6.165 10.762 1.00 64.23 H new ATOM 0 HD22 LEU A 78 -4.226 5.782 11.636 1.00 64.23 H new ATOM 0 HD23 LEU A 78 -2.810 4.715 11.789 1.00 64.23 H new